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aromatic ester material, plausibly a terephthalate-type polyester

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Result No.: 20241029163110693788775 Owner: publicuser Comments: 0
FTIR Analysis Report

aromatic ester material, plausibly a terephthalate-type polyester

Sample & Measurement Parameters

Report No. 20241029163110693788775
Date 2024-10-29 15:32:50
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern is most consistent with an aromatic ester-containing material and is plausibly aligned with a terephthalate-type polyester direction rather than a firm single-compound identification. The sample shows a strong ester carbonyl band at 1714 cm-1 together with multiple C-O stretching bands at 1270, 1115, 1102, and 1015 cm-1, plus aliphatic C-H stretching at 2943 and 2856 cm-1. The band at 725 cm-1 is also compatible with an aromatic ring out-of-plane mode seen in aromatic ester systems. This agrees with the Top-15 library pattern, which is dominated by Poly(1,4-butylene terephthalate), tere-/isophthalic polyesters, and benzoate-type esters. However, the library match confidence is explicitly low, all listed similarities are 0.000, and there is no direct reference or related-literature evidence to confirm a specific named polymer for this sample

Detailed interpretation

  • Top library match: Poly(1,4-butylene terephthalate) #28876
  • The library confidence is low, with no numerical separation among candidates and all reported similarities at 0.000.
  • No related-literature evidence was recovered to verify a specific polymer such as Poly(1,4-butylene terephthalate).
  • The present peak list does not provide enough sample-specific distinguishing bands to safely separate one terephthalate polyester from other aromatic ester materials.
  • A terephthalate-type polyester is plausible, but a firm entity-level assignment to Poly(1,4-butylene terephthalate) is not supported by the current evidence alone.
  • The spectrum could also reflect another aromatic polyester or related benzoate-containing ester material within the same chemical direction.
  • Key uncertainty remains because the result is driven mainly by a broad aromatic-ester library pattern rather than confirmed literature support.

Recommended next steps: Re-measure the FTIR spectrum with full spectral review, especially the 1600-1500 cm-1 aromatic ring region and the 1300-700 cm-1 fingerprint region, to look for terephthalate-specific band patterning. Compare the sample directly against authenticated spectra of Poly(1,4-butylene terephthalate), PET-type terephthalate polyesters, and isophthalate-containing polyesters. If the sample is a bulk solid or plastic, DSC can help test for a polyester such as PBT by checking for characteristic melting and crystallization behavior. If compositional confirmation is needed, pyrolysis-GC/MS or complementary Raman analysis would help distinguish a specific terephthalate polyester from other aromatic ester materials.

Library Comparison

Match group:
Library spectrum will appear here.

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 · 1714 1.00 - - -
2 · 1270 0.94 - - -
3 · 1102 0.67 - - -
4 · 1115 0.52 - - -
5 · 725 0.33 - - -
6 · 1015 0.20 - - -
7 · 2856 0.20 - - -
8 · 2943 0.20 - - -
9 · 1406 0.19 - - -
10 · 1453 0.14 - - -
11 · 1383 0.13 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241029163110693788775 2024-10-29 15:32:50
Discussion

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