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oxygenated organic material with ester-like carbonyl and C-O bands, plausibly polyester-like

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Resultaat nr.: 20250505154440448522469 Eigenaar: Kamila Reacties: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250505154440448522469 Date: 2025-05-06 03:28:34 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

oxygenated organic material with ester-like carbonyl and C-O bands, plausibly polyester-like

General assessment
-
#29721 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. 1725 cm-1 is consistent with an ester-like carbonyl absorption.
  2. 1274-1281 cm-1 and 1122-1036 cm-1 are consistent with multiple C-O stretching bands expected for oxygenated ester-containing materials.
  3. The library top name is POLYESTER, and another leading candidate is Polyethylene Teraphalate, supporting a polyester-like direction at a broad level.
Main limitation

The library match quality is very weak: reported similarities are 0.000, so the retrieval does not provide a reliable specific identification.

Evidence & interpretation
Evidence

Key evidence

Bibliotheek hoofdmatch
POLYESTER #29721 | match 0.0%
Materiaalrichting
oxygenated organic material with ester-like carbonyl and C-O bands, plausibly polyester-like The spectrum is most consistent with an oxygenated organic material that contains an ester-like carbonyl and multiple C-O stretching bands, making a polyester-like assignment plausible at a broad directional level. The strongest sample evidence is the band at 1725 cm-1 together with several strong fingerprint-region absorptions at 1274, 1281, 1122, 1072, and 1036 cm-1, which is compatible with ester-containing materials. However, the library result is low-confidence, all listed similarities are effectively non-discriminating, and there is no direct or related literature evidence to support a specific polyester identity. A broad polyester-like direction is therefore more chemically supportable than a firm material identification.
Support

Evidence supporting the conclusion

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

  1. 1725 cm-1 is consistent with an ester-like carbonyl absorption.
  2. 1274-1281 cm-1 and 1122-1036 cm-1 are consistent with multiple C-O stretching bands expected for oxygenated ester-containing materials.
  3. The library top name is POLYESTER, and another leading candidate is Polyethylene Teraphalate, supporting a polyester-like direction at a broad level.
  4. A characteristic absorption at 1725 cm-1 supports the presence of a carbonyl group consistent with an ester-containing material.
  5. Bands at 1274, 1281, 1122, 1072, and 1036 cm-1 support C-O stretching in an oxygenated organic matrix, which fits ester-rich chemistry better than a simple hydrocarbon.
  6. The peak set also includes 2927 cm-1, consistent with aliphatic C-H stretching, and a broad band at 3415 cm-1 that may reflect hydroxyl functionality, adsorbed moisture, or surface contamination.
  7. Low-wavenumber bands at 704, 737, and 870 cm-1 may indicate ring substitution or out-of-plane bending features, but they do not by themselves secure a specific polymer identity.
  8. Within the top library list, POLYESTER appears as the nominal top match and Polyethylene Teraphalate also appears among higher-ranked candidates, which is directionally consistent with ester-containing polymer chemistry.
Limitations

Evidence that limits the conclusion

  • The library match quality is very weak: reported similarities are 0.000, so the retrieval does not provide a reliable specific identification.
  • The Top-15 candidate pattern is chemically mixed and includes unrelated materials, so its consensus is not strong enough to support a narrow assignment.
  • The sample evidence does not provide clear support for sulfur-oxide or chlorine-containing chemistry despite those groups appearing in parts of the library feature list.
  • A broad band at 3415 cm-1 is not a defining feature of many common dry polyesters and may indicate moisture, hydroxyl-containing additives, degradation, or contamination.
  • The current peak list supports ester-containing organic chemistry, but it does not securely distinguish among polyester, oxidized coating/binder material, or a mixed oxygenated organic sample.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with improved signal quality and full baseline control, especially in the carbonyl and fingerprint regions, to test whether the ester pattern is reproducible.
  • Inspect the sample for moisture or surface contamination and, if feasible, dry or clean the sample before rerunning FTIR to assess whether the 3415 cm-1 band decreases.
  • Compare the sample directly against authenticated spectra of common polyester materials relevant to the sample context, including PET and other ester-containing binders or coatings.
  • If the application allows, use complementary methods such as Raman spectroscopy, DSC, or pyrolysis-GC/MS to determine whether the sample is truly a polyester polymer or a broader oxygenated organic mixture.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1409 1.00 - - - -
2 · 870 0.76 - - - -
3 · 1274 0.50 - - - -
4 · 1281 0.50 - - - -
5 · 1122 0.48 - - - -
6 · 956 0.47 - - - -
7 · 704 0.47 - - - -
8 · 1072 0.46 - - - -
9 · 737 0.43 - - - -
10 · 1036 0.39 - - - -
11 · 1725 0.23 - - - -
12 · 2927 0.19 - - - -
13 · 3415 0.13 - - - -
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
Discussie

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