RESULT PAGE

Material containing carboxylate groups and an aromatic N‑heterocycle (imidazole‑type), likely an organic salt or metal complex

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Result No.: 20251125115526507334357 Owner: hunterhudzik Comments: 0
FTIR Analysis Report Low confidence

Material containing carboxylate groups and an aromatic N‑heterocycle (imidazole‑type), likely an organic salt or metal complex

Sample & Measurement Parameters

Report No. 20251125115526507334357
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 29%

Identification Result

29%

The spectrum is consistent with a material that contains carboxylate anions and an imidazole or analogous aromatic N‑heterocycle. This interpretation is driven by compelling literature analogues, while reference library comparison yields only a low‑confidence match to a chemically unrelated copolymer 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: Vinylidene chloride/acrylonitrile copolymer #65271
  • The top library hit, vinylidene chloride/acrylonitrile copolymer, would require C–Cl and C≡N stretching bands that are absent from the spectrum, and the library similarity is essentially zero (0.000). This specific match is therefore unreliable.
  • Several other candidate assignments (e.g., β‑phase PVDF, silicate‑related peaks) are chemically incompatible with the carboxylate/imidazole evidence and are rejected.
  • The exact molecular identity cannot be determined solely from FTIR data; the material could be a metal carboxylate complex, an imidazole‑derived salt, or a mixture thereof.
  • The absence of a strong ester carbonyl (C=O) stretch near 1730 cm⁻¹ argues against a simple ester or methacrylate, but the possibility of a heavily hydrogen‑bonded carbonyl cannot be fully excluded without additional analysis.
  • The broad 3379 cm⁻¹ band is ambiguous between O–H and N–H, preventing a definitive assignment of amine versus alcohol/hydrate contributions.

Recommended next steps: Confirm the presence of metals (e.g., C-O or Ni) by X‑ray fluorescence or inductively coupled plasma analysis, as the most specific literature analogue points to transition‑metal propionate–imidazole complexes. Perform a complementary analysis such as X‑ray diffraction or mass spectrometry to establish the crystalline phase or exact composition. If a polymeric material is suspected, attempt a solubility test or further extraction to isolate the organic component for more definitive spectroscopic characterisation.

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 · 1054 1.00 - - -
2 · 888 0.40 - - -
3 · 3379 0.26 - - -
4 · 1355 0.25 - - -
5 · 1408 0.25 - - -
6 · 2874 0.24 - - -
7 · 1566 0.20 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20251125115526507334357
Discussion

Comments and follow-up evidence

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