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aromatic ester polymer, consistent with a terephthalate-type polyester

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Nr wyniku: 20250604114445487521571 Właściciel: publicuser Komentarze: 0
  • Translating report into polski. English is shown for now.
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250604114445487521571 Date: 2025-06-04 16:46:15 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

aromatic ester polymer, consistent with a terephthalate-type polyester

General assessment
-
#12934 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Nearest library label: Poly(ethylene terephthalate).
  2. Top-ranked library candidates are largely terephthalate/isophthalate polyester materials rather than unrelated polymer classes.
  3. 1713 cm⁻1 is a characteristic ester carbonyl position for aromatic polyesters.
Main limitation

Library confidence is low, with no meaningful similarity separation among the top candidates.

Evidence & interpretation
Evidence

Key evidence

Główne dopasowanie biblioteki
Poly(ethylene terephthalate) #12934 | match 0.0%
Kierunek materiałowy
aromatic ester polymer, consistent with a terephthalate-type polyester The FTIR pattern is most consistent with an aromatic ester-containing polymer, and the library nearest match is Poly(ethylene terephthalate). The sample shows a strong ester carbonyl band at 1713 cm⁻1 together with several C–O stretching bands at 1243, 1260, 1096, 1113, and 1017 cm⁻1, which supports a polyester-like material. Bands at 873 and 726 cm⁻1 are also compatible with an aromatic terephthalate-type ring substitution pattern. However, the overall library match quality is very weak, all top candidates have effectively zero similarity separation, and no direct or related literature evidence independently confirms a specific named polymer. For that reason, the most defensible conclusion is a terephthalate-type aromatic polyester direction rather than a firm entity assignment.
Support

Evidence supporting the conclusion

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

  1. Nearest library label: Poly(ethylene terephthalate).
  2. Top-ranked library candidates are largely terephthalate/isophthalate polyester materials rather than unrelated polymer classes.
  3. 1713 cm⁻1 is a characteristic ester carbonyl position for aromatic polyesters.
  4. The cluster of C–O stretching bands between about 1260 and 1017 cm⁻1 supports an ester-linked polymer network.
  5. 873 and 726 cm⁻1 provide additional support for an aromatic substituted ring system compatible with terephthalate-based polymers.
  6. A prominent band at 1713 cm⁻1 supports an ester carbonyl rather than a simple hydrocarbon material.
  7. Bands at 1243, 1260, 1096, 1113, and 1017 cm⁻1 support multiple C–O and C–O–C vibrations expected for polyester structures.
  8. Bands at 873 and 726 cm⁻1 are compatible with an aromatic ring environment seen in terephthalate-containing polymers.
  9. The top library pattern is dominated by Poly(ethylene terephthalate), tere-/isophthalic polyesters, and poly(1,4-butylene terephthalate), indicating a common aromatic polyester theme.
  10. The observed 2927 cm⁻1 band is consistent with aliphatic C–H stretching from polymer backbone methylene groups.
Limitations

Evidence that limits the conclusion

  • Library confidence is low, with no meaningful similarity separation among the top candidates.
  • The library consensus wording includes non-specific clues such as oxygen heterocycle / methyl, which does not uniquely support Poly(ethylene terephthalate).
  • Some library feature flags mention halogens, but the reported sample peaks do not provide clear characteristic support for chlorinated or fluorinated material.
  • The current evidence supports an aromatic polyester direction more strongly than a single exact polymer identity.
  • The spectrum could fit related terephthalate or isophthalate polyesters, including PET-like or PBT-like materials, based on the shared ester and aromatic features.
  • Without stronger library matching, comparison to authenticated reference spectra, or corroborating analytical data, Poly(ethylene terephthalate) should be treated as a tentative nearest library name only.
Recommendation

Suggested next verification

  • Compare the sample directly against authenticated FTIR reference spectra for Poly(ethylene terephthalate), poly(1,4-butylene terephthalate), and mixed tere-/isophthalate polyesters, focusing on the fingerprint region from 1300 to 700 cm⁻1.
  • Acquire a higher-quality ATR-FTIR spectrum with improved signal-to-noise and baseline control to verify the aromatic out-of-plane region near 873 and 726 cm⁻1.
  • Use DSC to check for thermal transitions characteristic of PET versus related aromatic polyesters.
  • If exact polymer identification is important, confirm by complementary methods such as Raman spectroscopy or pyrolysis-GC/MS.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1243 1.00 - - - -
2 · 726 0.92 - - - -
3 · 1260 0.91 - - - -
4 · 1096 0.89 - - - -
5 · 1713 0.82 - - - -
6 · 1113 0.59 - - - -
7 · 1017 0.46 - - - -
8 · 956 0.23 - - - -
9 · 873 0.21 - - - -
10 · 1406 0.17 - - - -
11 · 1450 0.13 - - - -
12 · 2927 0.12 - - - -
13 · 1374 0.11 - - - -
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
Dyskusja

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