Unsaturated ester / vinyl acetate type polymer with methyl/methoxy groups and possible aromatic components; low library confidence
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Unsaturated ester / vinyl acetate type polymer with methyl/methoxy groups and possible aromatic components; low library confidence
Sample & Measurement Parameters
Identification Result
29%The sample shows spectral features consistent with an unsaturated ester or acetate‑containing material, possibly a vinyl acetate copolymer or a low‑molecular‑weight acetate ester, but the identification remains uncertain. The reference library comparison lists prop‑2‑enyl acetate (similarity 15%) and a vinyl chloride/vinyl acetate copolymer as the nearest matches; however, the spectrum lacks a prominent C=O stretch near 1730 cm⁻¹, and many peak assignments vary with literature context. Aliphatic hydrocarbon chains, C–O single bond stretches, acetate‑related vibrations, and aromatic =C–H/C=C modes are present, suggesting a complex organic mixture or a partially degraded oligomer. Related literature reports porphyrin‑like ring vibrations for certain low‑wavenumber bands, raising further uncertainty. The result is therefore broadened to the chemically supportable class of unsaturated ester polymers with methyl/methoxy components FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.
Detailed interpretation
- Top library match: prop-2-enyl acetate #70
- The library match is very low (0.000 distance, 15% confidence), indicating poor overall spectral similarity to prop‑2‑enyl acetate.
- A typical ester carbonyl stretching band (≈1735 cm⁻¹) is absent; prop‑2‑enyl acetate should exhibit a strong C=O stretch that is not detected.
- The material direction remains tentative because the library hit is low and multiple functional‑group assignments are generic (alkyl C–H, C–O, aromatic C–H) rather than specific to a single compound or polymer type.
- The absence of a clear carbonyl band makes it difficult to confirm an acetate or methacrylate structure definitively.
- The porphyrin‑related literature analogies add complexity that cannot be resolved with the existing FTIR data alone.
Library Comparison
Library Search Results — Top 15 Candidates
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
Peak Analysis
★ = Literature-supported assignment| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | · | 728 | 1.00 | - | - | - |
| 2 | · | 796 | 0.83 | - | - | - |
| 3 | · | 748 | 0.80 | - | - | - |
| 4 | · | 1079 | 0.65 | - | - | - |
| 5 | · | 1383 | 0.57 | - | - | - |
| 6 | · | 1320 | 0.40 | - | - | - |
| 7 | · | 1614 | 0.39 | - | - | - |
| 8 | · | 1145 | 0.35 | - | - | - |
| 9 | · | 1498 | 0.33 | - | - | - |
| 10 | · | 1200 | 0.31 | - | - | - |
| 11 | · | 1022 | 0.29 | - | - | - |
| 12 | · | 3047 | 0.26 | - | - | - |
| 13 | · | 905 | 0.25 | - | - | - |
| 14 | · | 1452 | 0.24 | - | - | - |
| 15 | · | 931 | 0.21 | - | - | - |
| 16 | · | 988 | 0.18 | - | - | - |
| 17 | · | 1250 | 0.14 | - | - | - |
Appendix — Raw Spectrum
Comments and follow-up evidence
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