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RESULT PAGE

methoxy/methacrylate-containing organic material with carboxylic acid/ester, aromatic, and possible amine/amide character

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Result No.: 20251113093424692266466 Owner: humorvollinstinktiverfalke Comments: 0
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20251113093424692266466 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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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 with carboxylic acid/ester, aromatic, and possible amine/amide character

Low confidence
Conclusion
  1. The library top‑15 candidate features are dominated by methoxy, methacrylate, acetate, amide, carboxyl, ester, and ketone groups, reinforcing the organic ester/carboxylate direction.
  2. Direct evidence supports the presence of aromatic, methyl, N–H, C–O single bond, and ring motifs with literature‑backed peak assignments [4][2][3][7].
  3. The carbonyl‑rich fingerprint and the absence of strong inorganic bands (e.g., silicate, sulfate) in the library‑matched group set argue against a predominantly inorganic material.
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
cyclohexane-1,3,5-triol #25637
Limitations

Evidence that limits the conclusion

  • Some direct‑evidence peak assignments conflict with a purely organic composition: 854 cm⁻¹ is attributed to fluorine [5], 937 cm⁻¹ to fructan [6], 1022 cm⁻¹ to Al–O–Si bridges [3], and 1092 cm⁻¹ to Si–O stretching [7], suggesting the literature sources may reference inorganic or hybrid materials that do not align with the methoxy/methacrylate direction.
  • The library hit confidence is low (15 %), and the top candidate (cyclohexane‑1,3,5‑triol) differs significantly from the methoxy/methacrylate direction, leaving open the possibility of a mixed or hybrid organic/inorganic material.
  • The simultaneous presence of aromatic, amide, and carboxylate signatures makes a definitive structural assignment impossible from FTIR alone.
  • The direct‑evidence peak assignments introduce fluorine, Si–O, and Al–O–Si vibrations; if these are real sample components, they could indicate an inorganic filler or coating, but their relevance cannot be confirmed without additional data.
Recommendation

Suggested next verification

  • Verify the presence of inorganic components (silicon, aluminum, fluorine) by XRF or EDS to resolve the conflicting literature peak assignments.
  • Obtain a Raman spectrum or perform thermogravimetric analysis to differentiate between ester, carboxylate, and amide functionalities.
  • Compare the spectrum with a reference library of methacrylic copolymers and pigment‑binder mixtures to test the pigment mixture hypothesis raised by the related literature.
  • If possible, perform solvent extraction or hydrolysis to identify the main organic backbone and search for a more specific library match.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1405 0.94 - - - -
2 · 1563 0.80 - - - -
3 · 2920 0.69 - - - -
4 ★ 1466 0.66 Literature-supported assignment The band at 1466 cm-1 is assigned to alkyl C-H vibration. [3] Moderate confidence
5 · 854 0.62 - - - -
6 · 818 0.60 - - - -
7 · 2852 0.58 - - - -
8 · 1175 0.57 - - - -
9 ★ 3286 0.57 Literature-supported assignment The band at 3286 cm-1 is assigned to hydroxyl. [7] Moderate confidence
10 · 937 0.52 - - - -
11 · 1092 0.45 - - - -
12 · 1304 0.44 - - - -
13 ★ 1022 0.43 Literature-supported assignment The band at 1022 cm-1 is assigned to C-O single-bond vibration. [1] Moderate confidence
14 · 1205 0.43 - - - -
15 · 1283 0.42 - - - -
16 · 1260 0.42 - - - -
17 · 1751 0.39 - - - -
18 · 1226 0.38 - - - -
19 · 2956 0.35 - - - -
20 · 2820 0.23 - - - -
Literature

References

No. Title DOI Page
[1] Eftaiha 等 - 2018 - A green sorbent for CO2 capture alpha-cyclodextri 10.1039/c8ra08040b -
[2] Sen 等 - 2010 - Fluorescence and FTIR Spectra Analysis of Trans-A( 10.3390/ma3084446 9
[3] Gorniak 等 - 2023 - Screening of Fenofibrate-Simvastatin Solid Dispers 10.3390/pharmaceutics15020603 8
[4] Selim 等 - 2011 - Spectroscopic analysis of irradiated erythrocytes 10.1016/j.radphyschem.2011.07.002 5
[5] Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana 10.1155/2017/4938145 9
[6] Zhu 等 - 2005 - Characterization of organic phases in the interlay - 12
[7] Wang 等 - 2023 - Biological Selenite Reduction, Characterization an 10.3390/molecules28093793 9
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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
Discussion

Comments and follow-up evidence

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