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oxygen-containing ester polymer or oligomer, possibly hydroxy-terminated

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Nº do resultado: 20250319230016134768862 Proprietário: Admin Comentários: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250319230016134768862 Date: 2025-03-20 02:15:42 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

oxygen-containing ester polymer or oligomer, possibly hydroxy-terminated

General assessment
-
#65435 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Bands at 1708 and 1725 cm-1 support one or more carbonyl groups in an ester-like environment.
  2. Bands at 1055, 1098, 1165, 1178, 1240, and 1285 cm-1 support multiple C-O stretching vibrations expected for ester- and ether-like oxygenated structures.
  3. The 3373 cm-1 band supports the presence of hydroxyl functionality or hydrogen-bonded moisture associated with an oxygen-containing material.
Main limitation

The best library hit has zero reported similarity, so the named match itself is not strong enough for a firm entity-level identification.

Evidence & interpretation
Evidence

Key evidence

Correspondência principal da biblioteca
Poly(caprolactone),monohydroxy terminated #65435 | match 0.0%
Direção do material
oxygen-containing ester polymer or oligomer, possibly hydroxy-terminated The FTIR pattern is most consistent with an oxygen-containing ester material, likely a polymeric or oligomeric species rather than a simple hydrocarbon. The strongest sample evidence is the carbonyl region at 1708 and 1725 cm-1 together with multiple C-O stretching bands at 1055, 1098, 1165, 1178, 1240, and 1285 cm-1, plus aliphatic C-H at 2935 cm-1 and a broad O-H/N-H region near 3373 cm-1. The library top hit is Poly(caprolactone),monohydroxy terminated, and the broader top-candidate pattern is dominated by oxygenated ester polymers such as hydroxyethyl methacrylate- and polyester-type materials. However, the library match quality is very weak, and no direct or related literature evidence independently confirms a specific named polymer. For that reason, the most supportable conclusion is a broader oxygen-containing ester polymer or oligomer direction, with possible hydroxyl termination, rather than a firm assignment to Poly(caprolactone),monohydroxy terminated.
Support

Evidence supporting the conclusion

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

  1. Bands at 1708 and 1725 cm-1 support one or more carbonyl groups in an ester-like environment.
  2. Bands at 1055, 1098, 1165, 1178, 1240, and 1285 cm-1 support multiple C-O stretching vibrations expected for ester- and ether-like oxygenated structures.
  3. The 3373 cm-1 band supports the presence of hydroxyl functionality or hydrogen-bonded moisture associated with an oxygen-containing material.
  4. The top library pattern includes Poly(caprolactone),monohydroxy terminated, Poly(2-hydroxyethyl methacrylate), poly(hexamethylene sebacate), and poly(trimethylene succinate), all of which share oxygenated ester chemistry.
  5. The sample shows a strong ester-like carbonyl signature in the 1708-1725 cm-1 region together with several characteristic C-O bands from 1055 to 1285 cm-1.
  6. The 2935 cm-1 band supports aliphatic C-H, which is compatible with polyester or methacrylate-type backbones bearing alkyl segments.
  7. The broad band at 3373 cm-1 indicates hydroxyl and possibly moisture or weak N-H contribution; in this context it is consistent with a hydroxy-bearing oxygenated material.
  8. Across the leading library candidates, the recurring chemistry is oxygen-rich organic material, especially ester-containing polymers and related oxygenated compounds.
Limitations

Evidence that limits the conclusion

  • The best library hit has zero reported similarity, so the named match itself is not strong enough for a firm entity-level identification.
  • The observed peak list does not provide a uniquely identifying pattern that clearly separates polycaprolactone from other oxygen-containing ester polymers or oligomers in the top-candidate set.
  • It remains uncertain whether the sample is specifically polycaprolactone, a hydroxyethyl methacrylate-based polymer, another aliphatic polyester, or a related oxygenated oligomer.
  • The broad 3373 cm-1 band may reflect terminal hydroxyl groups, absorbed water, or another hydrogen-bonding contribution.
  • The split carbonyl region at 1708 and 1725 cm-1 may indicate more than one carbonyl environment, crystallinity effects, or a mixture, but the current evidence does not distinguish among these possibilities.
Recommendation

Suggested next verification

  • Compare the full spectrum directly against authenticated FTIR references for Poly(caprolactone),monohydroxy terminated, poly(2-hydroxyethyl methacrylate), and common aliphatic polyesters such as poly(trimethylene succinate).
  • Check for polyester-specific thermal behavior by DSC; a melting transition near the expected range for semicrystalline aliphatic polyester would help separate polycaprolactone-like material from methacrylate-based materials.
  • Use 1H and 13C NMR to verify whether the sample contains caprolactone-type methylene environments, methacrylate backbone features, or mixed ester components.
  • If the 3373 cm-1 band is important to the assignment, dry the sample and reacquire FTIR to determine whether the band persists as a true hydroxyl feature rather than adsorbed moisture.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1725 1.00 - - - -
2 · 1165 0.94 - - - -
3 · 1178 0.90 - - - -
4 · 1708 0.48 - - - -
5 · 718 0.44 - - - -
6 · 1240 0.33 - - - -
7 · 3373 0.30 - - - -
8 · 1055 0.29 - - - -
9 · 1098 0.27 - - - -
10 · 960 0.21 - - - -
11 · 1285 0.20 - - - -
12 · 1362 0.18 - - - -
13 · 2935 0.16 - - - -
14 · 1462 0.13 - - - -
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction was cancelled by the user.

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
Discussão

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  • 20 Mar '25

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