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Methoxy/methacrylate-containing organic material, likely a polymerized ester system

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N.º de resultado: 20260109121255879298146 Propietario: publicuser Comentarios: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260109121255879298146 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

Methoxy/methacrylate-containing organic material, likely a polymerized ester system

Library direction
Confianza general
#47417 Current rank 1 Library lead match 92.6%
Conclusion
  1. The reference library comparison Top‑15 consensus strongly points toward methoxy and methacrylate motifs, with supporting groups such as methoxy, methacrylate, acetate, and o–c–o appearing across multiple high‑ranking candidates.
  2. Direct literature evidence confirms the alkyl C–H stretching assignments at 2862 and 2931 cm⁻¹ and the carbonyl assignment at 1743 cm⁻¹ [1,2,7], directly supporting the ester/aliphatic nature of the sample.
  3. Cross‑peak coherence is high: the ester C=O, aliphatic C–H stretching and bending, and C–O/ether bands form a chemically self‑consistent set that matches methacrylate and ester chemistries.
Main limitation

The strong ester carbonyl at 1743 cm⁻¹ and the prominent aliphatic C–H stretches are incompatible with the library’s top named entity, 8‑hydroxy‑5,7‑dinitronaphthalene‑2‑sulfonic acid, which lacks ester and long‑chain alkyl groups.

Evidence & interpretation
Evidence

Key evidence

Coincidencia principal de la biblioteca
8-hydroxy-5,7-dinitronaphthalene-2-sulfonic acid #47417 | match 92.6%
Dirección del material
Methoxy/methacrylate-containing organic material, likely a polymerized ester system The infrared spectrum displays characteristic absorptions of a methoxy/methacrylate-based material with hydroxyl, ester carbonyl, aliphatic hydrocarbon chains, and possible amide fractions. The overall pattern aligns more closely with the library-derived consensus of methoxy/methacrylate than with the top named compound, which lacks features such as a strong carbonyl and long aliphatic C–H stretches.
Supporting peaks
1090 cm-1 1154 cm-1 1450 cm-1 1457 cm-1 1530 cm-1 1635 cm-1 1743 cm-1 2862 cm-1
Supporting groups
aromatic amide methyl alkyl_c_h o_c_o carbonyl ch2_(lipids)
Support

Evidence supporting the conclusion

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

  1. The infrared spectrum displays characteristic absorptions of a methoxy/methacrylate-based material with hydroxyl, ester carbonyl, aliphatic hydrocarbon chains, and possible amide fractions. The overall pattern aligns more closely with the library-derived consensus of methoxy/methacrylate than with the top named compound, which lacks features such as a strong carbonyl and long aliphatic C–H stretches.
  2. The reference library comparison Top‑15 consensus strongly points toward methoxy and methacrylate motifs, with supporting groups such as methoxy, methacrylate, acetate, and o–c–o appearing across multiple high‑ranking candidates.
  3. Direct literature evidence confirms the alkyl C–H stretching assignments at 2862 and 2931 cm⁻¹ and the carbonyl assignment at 1743 cm⁻¹ [1,2,7], directly supporting the ester/aliphatic nature of the sample.
  4. Cross‑peak coherence is high: the ester C=O, aliphatic C–H stretching and bending, and C–O/ether bands form a chemically self‑consistent set that matches methacrylate and ester chemistries.
  5. A prominent carbonyl stretch at 1743 cm⁻¹ is consistent with ester C=O vibrations, as reported for carbonyl-containing compounds [1].
  6. Aliphatic C–H stretching bands at 2862 and 2931 cm⁻¹ are assigned to symmetric and asymmetric CH₂/CH₃ modes, respectively, supporting the presence of methylene-rich chains [2,7].
  7. Bands at 1450 and 1457 cm⁻¹ arise from CH₂/CH₃ bending and scissoring deformations, typical of hydrocarbon backbones found in methacrylate polymers.
  8. The absorption at 1635 cm⁻¹ can be attributed to C=C stretching of residual unreacted methacrylate double bonds, a spectral signature often observed in cured methacrylate resins.
  9. A weaker, broad feature near 1530 cm⁻¹ falls in the amide II region and may indicate minor protein or amide contamination, a possibility that remains compatible with the complex biological contexts seen in many related reports.
  10. Broad, overlapping C–O stretching bands around 1090 and 1154 cm⁻¹ are assignable to ether and ester C–O linkages, corroborating the methoxy/methacrylate assignment.
  11. Major peak assignments include 2931: Related literature: Lipid C-H stretching (symmetric and asymmetric CH2) | Direct reference: alkyl c h; oxygen; 1154: Related literature: Possible phosphate/P-O-C or C-O absorption | Direct reference: oxygen; c o single bond; 1090: Related literature: Amine / alkyl ether C-N/C-O stretch | Direct reference: alkyl c h; oxygen; 1635: Related literature: Amide I (protein C=O stretch) | Direct reference: alkyl c h; oxygen.
Limitations

Evidence that limits the conclusion

  • The strong ester carbonyl at 1743 cm⁻¹ and the prominent aliphatic C–H stretches are incompatible with the library’s top named entity, 8‑hydroxy‑5,7‑dinitronaphthalene‑2‑sulfonic acid, which lacks ester and long‑chain alkyl groups.
  • The direct evidence includes several assignments that are chemically disparate (siloxane, PTFE, h1a centers, furan vibrational mode) and do not align with the methoxy/methacrylate material line, indicating that those specific peak‑to‑group attributions are unlikely for this sample.
  • The assignment of the 1154 cm⁻¹ band to a C–O stretching mode remains tentative because this region can also accommodate phosphate or S=O vibrations; without additional elemental information, a unique assignment is not possible.
  • The weak band at 1530 cm⁻¹, tentatively attributed to amide, may originate from proteinaceous impurities or from other nitrogen‑containing groups present in the mixture; its exact origin cannot be resolved from the current data alone.
  • The library label suggests a specific entity, but the combined spectroscopic evidence argues for a broader methacrylate‑ester material; whether the sample is a mixture or a different compound with accidental spectral similarity remains uncertain.
Recommendation

Suggested next verification

  • Perform Raman spectroscopy to confirm the presence of residual C=C unsaturation near 1635 cm⁻¹, which would strengthen the methacrylate assignment.
  • Acquire an FTIR spectrum after mild thermal curing or photopolymerization to monitor the disappearance of the 1635 cm⁻¹ band, providing direct evidence of methacrylate reactivity.
  • Complement the analysis with LC‑MS or NMR to resolve whether the sample is a pure compound, a mixture, or a methacrylate‑based polymer, and to rule out the nominally matched sulfonic acid entity.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 2931 1.00 Asignación respaldada por literatura La banda en 2931 cm-1 se asigna a Lipid C-H stretching (symmetric and asymmetric CH2)[S2][S6]. [S2], [S6] Confianza de LLM
2 ★ 1154 0.25 Asignación respaldada por literatura La banda en 1154 cm-1 se asigna a C-O single bond[RC893]. [RC893] Confianza de LLM
3 ★ 1090 0.23 Asignación respaldada por literatura La banda en 1090 cm-1 se asigna a C-O single bond[10]. [10] Confianza general
4 ★ 1635 0.21 Asignación respaldada por literatura La banda en 1635 cm-1 se asigna a alkene[RC1228]. [RC1228] Confianza de LLM
5 ★ 1743 0.21 Asignación respaldada por literatura La banda en 1743 cm-1 se asigna a carbonyl[RC517]. [RC517] Confianza de LLM
6 ★ 2862 0.16 Asignación respaldada por literatura La banda en 2862 cm-1 se asigna a Lipid C-H stretching (symmetric and asymmetric CH2)[S2][S6]. [S2], [S6] Confianza de LLM
7 ★ 1530 0.15 Asignación respaldada por literatura La banda en 1530 cm-1 se asigna a amide[RC514]. [RC514] Confianza de LLM
8 ★ 1450 0.15 Asignación respaldada por literatura La banda en 1450 cm-1 se asigna a CH2/CH3 bending and aromatic ring vibrations[S1][S5][S6]. [S1], [S5], [S6] Confianza de LLM
9 ★ 1457 0.15 Asignación respaldada por literatura La banda en 1457 cm-1 se asigna a CH2/CH3 bending and aromatic ring vibrations[S1][S5][S6]. [S1], [S5], [S6] Confianza de LLM
Literature

References

1142 local KG peak-level literature source(s) kept in the candidate pool; peaks 1090, 1154, 1450, 1457, 1530, 1635; groups >c=o,_ester, acetal_bonds, acetate, acetomannan_polysaccharide.

No. Title Page
[1] Ouyang 等 - 2012 - Adsorption of Cu (II) from aqueous single metal so -
[2] Du 等 - 2014 - Cytotoxicity of PEGylated graphene oxide on lympho -
[3] Conzatti 等 - 2019 - Thermosensitive PNIPAM grafted alginatechitosan P -
[4] Ballav 和 Biswas - 2004 - Preparation and evaluation of nanocomposites of po -
[5] Ashkbar 等 - 2020 - Treatment of breast cancer in vivo by dual photody -
[6] Aritonang 等 - 2019 - Grafting of Oleic Acid On Cyclic Natural Rubber Re -
[7] Adeyi 等 - 2019 - Adsorption of Malachite Green Dye from Liquid Phas -
[8] pdf20231221 cm-1 infrared 第一部分/duband 等 - 2012 - laryngeal teflonoma identified by fourier-transfor.pdf -
[9] Babich 等 - 2016 - Manifestation of nitrogen interstitials in synthet -
[10] Xu 等 - 2021 - Design of facile technology for the efficient remo -
[S1] Racic 等 - 2023 - Screening of Native Trichoderma Species for Nickel 10
[S2] Depciuch 等 - 2020 - Similarities in the General Chemical Composition o 5
[S3] Agbaje 等 - 2021 - Organic biopolymers of venus clams Collagen-relat 5
[S5] Rehman 等 - 2018 - Development of niosomal formulations loaded with c 5
[RC514] Su 等 - 2021 - A Study of Combining Elastin in the Chitosan Elect 6
[RC517] Rasul 等 - 2021 - Liquid fuel oil produced from plastic based medica 8
[RC893] Zivanovic 等 - 2021 - Differential Response of Two Tomato Genotypes, Wil 7
[RC1228] Atta 等 - 2023 - Fabrication, Structural Properties, and Electrical 5
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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