RESULT PAGE

Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate

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Result No.: 20260528100755416137536 Owner: hunterhudzik Comments: 0
FTIR Analysis Report High confidence

Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate

Material direction: adipate polyester

Sample & Measurement Parameters

Report No. 20260528100755416137536
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 91%

Identification Result

91%

The sample is consistent with a polyester adipate, closely matching Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate. The spectrum is dominated by an intense ester carbonyl band at 1736 cm⁻¹, strong aliphatic C–H stretching at 2932 and 2858 cm⁻¹, and characteristic C–O stretching modes at 1176 and 1084 cm⁻¹, all features of an aliphatic polyester backbone. A broad hydroxyl absorption near 3535 cm⁻¹ is also observed, likely from terminal hydroxyl groups or minor water content 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: Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate #146255
  • Direct evidence references assign peaks at 465, 591, 756, and 833 cm⁻¹ to metal–oxygen, C–H out‑of‑plane, and halogen vibrations; these assignments originate from literature on inorganic compounds and do not directly match the polyester identification, indicating that those peaks may be due to minor additives, fillers, or spectral artifacts rather than the main polymer matrix.
  • The library match, while high, does not uniquely confirm the exact diol ratio or the dodecanoate end‑group, and minor compositional variations (e.g., different adipate copolymers) could yield similar spectra.
  • The weak bands at low wavenumbers (below 800 cm⁻¹) are not fully accounted for by the polyester model and could stem from trace inorganic additives, but they do not alter the primary polymer identification.

Recommended next steps: The weak absorption at 756 and 833 cm⁻¹ may warrant further investigation; confirmation of the specific polyester composition could be obtained by pyrolysis‑GC/MS or NMR to identify the exact diol and acid units. The presence of a broad O-H band at 3535 cm⁻¹ suggests potential hydrolysis; if relevant, a water content determination or end‑group analysis by chemical titration would clarify the extent of degradation.

Library Comparison

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 · 1736 0.99 - - -
2 · 1176 0.82 - - -
3 · 1241 0.71 - - -
4 · 1084 0.65 - - -
5 · 1379 0.59 - - -
6 · 2932 0.59 - - -
7 · 1458 0.49 - - -
8 · 1313 0.41 - - -
9 · 1419 0.39 - - -
10 · 2858 0.28 - - -
11 · 1019 0.23 - - -
12 · 951 0.19 - - -
13 · 465 0.09 - - -
14 · 833 0.08 - - -
15 · 756 0.07 - - -
16 · 3535 0.06 - - -
17 · 591 0.05 - - -
18 · 2676 0.04 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260528100755416137536
Discussion

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