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oxygenated organic material with ester and ether-type C-O bonding, possibly a solvent-like acetate or acrylate/methacrylate-type component

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结果编号: 20250602132022853753948 所有者: publicuser 评论: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250602132022853753948 Date: 2025-06-02 18:22:02 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

oxygenated organic material with ester and ether-type C-O bonding, possibly a solvent-like acetate or acrylate/methacrylate-type component

General assessment
-
#10829 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. 1734 cm-1 supports an ester carbonyl.
  2. 1239, 1203, 1097, and 1017 cm-1 support C-O single-bond stretching expected for ester/ether-containing organics.
  3. 2872, 1453, and 1371 cm-1 support aliphatic methyl-bearing groups.
Main limitation

reference library comparison confidence is very low, with all listed candidate similarities at 0.000.

Evidence & interpretation
Evidence

Key evidence

库主匹配
1-methoxypropan-2-yl acetate #10829 | match 0.0%
材料方向
oxygenated organic material with ester and ether-type C-O bonding, possibly a solvent-like acetate or acrylate/methacrylate-type component The FTIR pattern is most consistent with an oxygenated organic material containing a strong ester carbonyl and multiple C-O stretching bands. The sample shows a prominent band at 1734 cm-1 together with strong features at 1239, 1203, 1097, and 1017 cm-1, which supports ester and/or ether-type bonding, and aliphatic C-H bands at 2872, 1453, and 1371 cm-1 indicate methyl-containing alkyl groups. Although the nearest library label is 1-methoxypropan-2-yl acetate, the retrieval confidence is effectively absent and the Top-15 candidates are chemically mixed, spanning acetate solvents, methoxy carbonyl compounds, and acrylic or methacrylic polymers. On the present evidence, the safest conclusion is therefore a broader oxygenated ester/ether organic direction rather than a firm assignment to a single named compound.
Support

Evidence supporting the conclusion

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

  1. The FTIR pattern is most consistent with an oxygenated organic material containing a strong ester carbonyl and multiple C-O stretching bands. The sample shows a prominent band at 1734 cm-1 together with strong features at 1239, 1203, 1097, and 1017 cm-1, which supports ester and/or ether-type bonding, and aliphatic C-H bands at 2872, 1453, and 1371 cm-1 indicate methyl-containing alkyl groups. Although the nearest library label is 1-methoxypropan-2-yl acetate, the retrieval confidence is effectively absent and the Top-15 candidates are chemically mixed, spanning acetate solvents, methoxy carbonyl compounds, and acrylic or methacrylic polymers. On the present evidence, the safest conclusion is therefore a broader oxygenated ester/ether organic direction rather than a firm assignment to a single named compound.
  2. 1734 cm-1 supports an ester carbonyl.
  3. 1239, 1203, 1097, and 1017 cm-1 support C-O single-bond stretching expected for ester/ether-containing organics.
  4. 2872, 1453, and 1371 cm-1 support aliphatic methyl-bearing groups.
  5. Leading library candidates commonly contain acetate, methoxy, acrylate, methacrylate, or polyester motifs, which is consistent with the observed carbonyl plus C-O-rich spectrum.
  6. A strong band at 1734 cm-1 supports an ester-like carbonyl rather than a purely hydrocarbon or siloxane material.
  7. Bands at 1239, 1203, 1097, and 1017 cm-1 are characteristic of strong C-O stretching, consistent with ester and ether functionality.
  8. Bands at 2872, 1453, and 1371 cm-1 support aliphatic methyl-containing groups.
  9. The Top-15 library pattern repeatedly includes oxygenated acetate, methoxy, acrylate, methacrylate, and polyester-like candidates, indicating a common oxygenated carbonyl/C-O motif.
  10. The nearest library name is retained as 1-methoxypropan-2-yl acetate, but all reported similarities are 0.000, so the match does not support an entity-level identification.
  11. The library direction suggestion of methyl / silicon is not securely supported by the observed peak set because the spectrum also contains a clear ester carbonyl and lacks stronger direct evidence for a dominant siloxane assignment.
Limitations

Evidence that limits the conclusion

  • reference library comparison confidence is very low, with all listed candidate similarities at 0.000.
  • Top-ranked candidates are chemically heterogeneous, ranging from small acetate solvents to acrylic or methacrylic polymers, so the library does not converge on one specific material.
  • The suggested methyl / silicon library consensus is weakened by the absence of stronger sample-centered support for a siloxane-dominated interpretation and by the clear ester carbonyl at 1734 cm-1.
  • The present peak list supports functional groups more confidently than a unique substance identity.
  • It remains unclear whether the sample is a discrete acetate solvent, an oxygenated additive, or an acrylate/methacrylate/polyester-type polymeric component.
  • The available data do not distinguish whether the ester functionality belongs to a low-molecular-weight solvent/plasticizer or to a polymer backbone or side chain.
Recommendation

Suggested next verification

  • Compare the full spectrum, especially the 1300-900 cm-1 region, against authenticated spectra of 1-methoxypropan-2-yl acetate and common acrylate/methacrylate ester materials.
  • Check for volatility or residue behavior: rapid evaporation with loss of the FTIR signal would support a solvent-like acetate, whereas a persistent film would support a polymeric or resinous ester component.
  • Acquire complementary GC-MS if the sample is volatile, or pyrolysis-GC-MS if it is a residue or coating, to distinguish a small oxygenated solvent from an acrylate or polyester material.
  • If silicon-containing material is still suspected, obtain a higher-quality spectrum and inspect for the characteristic intensity pattern of Si-O-Si and Si-CH3 bands relative to the ester carbonyl.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1097 1.00 - - - -
2 · 1239 0.91 - - - -
3 · 1734 0.66 - - - -
4 · 1017 0.51 - - - -
5 · 1371 0.41 - - - -
6 · 964 0.40 - - - -
7 · 1203 0.30 - - - -
8 · 2872 0.26 - - - -
9 · 1453 0.24 - - - -
10 · 825 0.23 - - - -
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): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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