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Aromatic methacrylate-based material likely containing a silica/siloxane component

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N. risultato: 20251117101724040495886 Proprietario: publicuser Commenti: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20251117101724040495886 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

Aromatic methacrylate-based material likely containing a silica/siloxane component

General assessment
Confidenza LLM
#33549 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Library top-15 candidates consistently share ester, methacrylate, and aromatic functionalities.
  2. The coexistence of strong organic ester/aromatic bands and inorganic Si-O vibrations suggests a composite or mixed-phase material.
  3. The band at 1604 cm-1 is consistent with aromatic C=C stretching and is commonly observed in methacrylate-based polymers.
Main limitation

The nearest library match, 3-(4-Chlorophenyl)-1-methoxy-1-methylurea, had very low spectral similarity (0.000) and cannot be confirmed.

Evidence & interpretation
Evidence

Key evidence

Corrispondenza principale della libreria
3-(4-Chlorophenyl)-1-methoxy-1-methylurea #33549 | match 0.0%
Miscela
Aromatic methacrylate-based material likely containing a silica/siloxane component The FTIR spectrum most closely matches aromatic methacrylate-type compounds, with strong indications of ester, methacrylate, and aromatic ring vibrations, along with bands characteristic of silica or siloxane structures. The reference library comparison provided a low-confidence match to 3-(4-Chlorophenyl)-1-methoxy-1-methylurea, but the consensus of the top candidates and the direct literature evidence supports a broader classification as an aromatic ester/methacrylate material, possibly a composite containing an inorganic silica filler.
Supporting peaks
745 cm-1 801 cm-1 938 cm-1 983 cm-1 1077 cm-1 1169 cm-1 1212 cm-1 1243 cm-1
Supporting groups
aromatic methyl alkyl_c_h amide silicon_oxygen siloxane c_n nitro
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. The FTIR spectrum most closely matches aromatic methacrylate-type compounds, with strong indications of ester, methacrylate, and aromatic ring vibrations, along with bands characteristic of silica or siloxane structures. The reference library comparison provided a low-confidence match to 3-(4-Chlorophenyl)-1-methoxy-1-methylurea, but the consensus of the top candidates and the direct literature evidence supports a broader classification as an aromatic ester/methacrylate material, possibly a composite containing an inorganic silica filler.
  2. Library top-15 candidates consistently share ester, methacrylate, and aromatic functionalities.
  3. The coexistence of strong organic ester/aromatic bands and inorganic Si-O vibrations suggests a composite or mixed-phase material.
  4. The band at 1604 cm-1 is consistent with aromatic C=C stretching and is commonly observed in methacrylate-based polymers.
  5. A peak at 1169 cm-1 is assigned to ester C-O stretching, with direct literature attribution to ester group vibrations [7].
  6. The absorption at 801 cm-1 is attributable to Si-O or siloxane bending, supported by literature evidence for silicon [10].
  7. Strong C-H deformation bands around 1461 and 1393 cm-1 indicate aliphatic methyl and methylene groups typical of methacrylate backbones.
  8. The peak at 1077 cm-1, while also assignable to C-O in methacrylate, lacks direct citation but fits the expected methoxy/ester pattern.
  9. Absorptions near 2157, 2132, and 2180 cm-1, identified as triple bond stretches (nitrile/alkyne) by analogical literature, suggest a small amount of nitrile or alkyne functionality, consistent with some library candidates.
  10. Major peak assignments include 2157: Related literature: Triple bond stretch (nitrile/alkyne) | Direct reference: ring; ring 6m | Quality: The spectrum edges look truncated or baseline-shifted; 3659: Related literature: Free O-H stretch | Direct reference: ring; ring 6m | Quality: The spectrum edges look truncated or baseline-shifted; 2132: Related literature: Triple bond stretch (nitrile/alkyne) | Quality: The spectrum edges look truncated or baseline-shifted; 1958: Quality: The spectrum edges look truncated or baseline-shifted.
Limitations

Evidence that limits the conclusion

  • The nearest library match, 3-(4-Chlorophenyl)-1-methoxy-1-methylurea, had very low spectral similarity (0.000) and cannot be confirmed.
  • The presence of Si-O bands, possibly from silica, does not correspond to the pure organic library candidates and may indicate an inorganic filler or contamination.
  • No specific compound identity could be established; the assignment rests on functional group interpretation rather than a definitive match.
Recommendation

Suggested next verification

  • Perform complementary analyses such as GC-MS, NMR, or elemental analysis to identify the organic constituents and confirm the presence of methacrylate.
  • If the material is a composite, thermal gravimetric analysis (TGA) could quantify the inorganic fraction and help identify the filler.
  • Consider re-running the library search with the sample spectrum after subtracting the silica contribution for a better match.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 2157 1.00 Assegnazione della letteratura analogica La banda a 2157 cm-1 è assegnata a Triple bond stretch (nitrile/alkyne)[S1]. [S1] Confidenza complessiva
2 ★ 3659 0.79 Assegnazione della letteratura analogica La banda a 3659 cm-1 è assegnata a Free O-H stretch[S1]. [S1] Confidenza complessiva
3 ★ 2132 0.74 Assegnazione della letteratura analogica La banda a 2132 cm-1 è assegnata a Triple bond stretch (nitrile/alkyne)[S1]. [S1] Confidenza LLM
4 · 1958 0.73 - - - -
5 · 1971 0.70 - - - -
6 · 2005 0.68 - - - -
7 · 2022 0.68 - - - -
8 · 1816 0.66 - - - -
9 ★ 2180 0.64 Assegnazione della letteratura analogica La banda a 2180 cm-1 è assegnata a Triple bond stretch (nitrile/alkyne)[S1]. [S1] Confidenza LLM
10 · 2094 0.62 - - - -
11 · 2039 0.61 - - - -
12 · 2053 0.61 - - - -
13 · 2366 0.52 - - - -
14 · 1309 0.51 - - - -
15 · 1359 0.51 - - - -
16 · 1529 0.49 - - - -
17 ★ 1169 0.47 Assegnazione supportata dalla letteratura La banda a 1169 cm-1 è assegnata a ester[7]. [7] Confidenza LLM
18 ★ 1077 0.45 Assegnazione supportata dalla letteratura La banda a 1077 cm-1 è assegnata a methacrylate[RC2953]. [RC2953] Confidenza LLM
19 · 1393 0.42 - - - -
20 · 983 0.39 - - - -
21 · 1212 0.38 - - - -
22 · 938 0.37 - - - -
23 ★ 1604 0.32 Assegnazione della letteratura analogica La banda a 1604 cm-1 è assegnata a Aromatic C=C stretching[S5]. [S5] Confidenza LLM
24 · 1243 0.31 - - - -
25 · 1461 0.30 - - - -
26 · 1277 0.27 - - - -
27 · 745 0.22 - - - -
28 ★ 801 0.22 Assegnazione supportata dalla letteratura La banda a 801 cm-1 è assegnata a acetate[29]. [29] Confidenza complessiva
Literature

References

987 local KG peak-level literature source(s) kept in the candidate pool; peaks 745, 801, 938, 983, 1077, 1169; groups 1,4_disubstitution_of_the_aromatic_ring, 1_so, 2,4,6_carbon_radial, 218o.

No. Title Page
[1] Rajendran 等 - 2013 - -
[2] Purba 等 - 2023 - Novel method of hydrolysed collagen extraction fro -
[3] Pulyalina 等 - 2022 - Effect of ionic liquid on formation of copolyimide -
[4] Naseem 等 - 2020 - Mesoporous ZnAl2Si10O24 nanofertilizers enable hig -
[5] Goldsztein 等 - 2010 - Gastric ATPase phosphorylationdephosphorylation m -
[6] Espinosa-Velazquez 等 - 2018 - Rapid physicochemical characterization of innovati -
[7] Chaparro 等 - 2023 - Biowaxes from Palm Oil as Promising Candidates for -
[8] Butova 等 - 2023 - In Situ FTIR Spectroscopy for Scanning Accessible -
[9] Baldassarre 等 - 2020 - Crystal Chemistry and Luminescence Properties of E -
[10] Athinarayanan 等 - 2020 - Fabrication of Biogenic Silica Nanostructures from -
[11] pdf20231221 cm-1 infrared 第一部分/duband 等 - 2012 - laryngeal teflonoma identified by fourier-transfor.pdf -
[12] 0816 ftir cm_1 peak wos/braiman 等 - 1988 - vibrational spectroscopy of bacteriorhodopsin muta.pdf -
[13] Wang 等 - 2022 - Dentin collagen denaturation status assessed by co -
[14] Retnoningtyas 等 - 2022 - Synthesis and Characterization of Methionine-Funct -
[15] Mansour 等 - 2022 - Green Synthesis of Zinc Oxide Nanoparticles Using -
[16] Gutierrez 等 - 2012 - Liquid phase hydrogenation of crotonaldehyde over -
[17] Blanco 等 - 2020 - Acidic Properties of Alkaline-Earth Phosphates Det -
[18] Al-Shdefat 等 - 2023 - Ribociclib Hybrid Lipid-Polymer Nanoparticle Prepa -
[19] Al Jedani 等 - 2020 - A de-waxing methodology for scanning probe microsc -
[20] Affatato 等 - 2012 - In vitro wear performance of standard, crosslinked -
[21] pdf20231221 cm-1 infrared 第一部分/sivakumar 等 - 2003 - photo-oxidation of p740, the primary electron dono.pdf -
[22] pdf20231221 cm-1 infrared 第一部分/aran-ais 等 - 2011 - on the behavior of the pt(100) and vicinal surface.pdf -
[23] 0816 ftir cm_1 peak wos/yuan 等 - 1999 - characterization of co- and h-2-adsorbed au6pt-pho.pdf -
[24] 0816 ftir cm_1 peak wos/mathiowitz 等 - 1993 - morphological characterization of bioerodible poly.pdf -
[25] Stavrakis 等 - 2002 - Decay of the transient Cu-B-CO complex is accompan -
[26] Starowicz 等 - 2014 - Alumina-based nanoparticles obtained by anodic dis -
[27] Senger 等 - 2018 - Infrared Characterization of the Bidirectional Oxy -
[28] Rasko 等 - 2007 - Characterization of Au-RhTiO2 catalysts by CO ads -
[29] Wankhede 和 Haram - 2003 - Synthesis and characterization of Cd-DMSO complex -
[S1] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton 13
[S5] Sen 等 - 2010 - Fluorescence and FTIR Spectra Analysis of Trans-A( 9
[S6] Arivazhagan 和 Rexalin - 2013 - Vibrational spectra, UV-vis spectral analysis and 5
[RC2953] Delgado 和 Young - 2021 - Modelling ATR-FTIR Spectra of Dental Bonding Syste 11
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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