RESULT PAGE

carboxylate salt with a six-membered ring, plausibly aromatic

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Result No.: 20250528113050232669816 Owner: publicuser Comments: 1
FTIR Analysis Report

carboxylate salt with a six-membered ring, plausibly aromatic

Sample & Measurement Parameters

Report No. 20250528113050232669816
Date 2025-05-28 12:45:41
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The ordinary FTIR search does not support a firm compound-level identification, even though SODIUM BENZOATE is the nearest library entry. The stronger chemically supportable conclusion is that the sample is consistent with a carboxylate-containing salt and shows evidence of a six-membered ring, with an aromatic ring remaining plausible. This broader direction fits the Top-15 library pattern better than a specific named material because the retrieval confidence is very low and there is no direct reference or related-literature confirmation

Detailed interpretation

  • Top library match: SODIUM BENZOATE #37733
  • The library confidence is reported as low, with no meaningful similarity separation among top candidates.
  • The top candidates include both aromatic carboxylates and long-chain aliphatic carboxylates, S-O the retrieval does not uniquely define the ring type or exact compound.
  • No related-literature evidence independently confirms a benzoate assignment.
  • It remains uncertain whether the ring is definitively aromatic or whether the sample is a different metal carboxylate that happens to share similar FTIR features.
  • The counterion cannot be confirmed from these FTIR data alone.
  • The present evidence does not securely distinguish SODIUM BENZOATE from other sodium or potassium carboxylates with ring-containing structures.

Recommended next steps: Check for the characteristic benzoate ring pattern by closely inspecting the 1600-1450 cm-1 and 900-675 cm-1 regions at higher spectral quality. Compare the separation and shape of the 1546 and 1425 cm-1 bands against authenticated spectra of sodium benzoate and other metal carboxylates. Use complementary analysis such as Raman, XRD, or MS to determine whether the organic group is aromatic and to help distinguish benzoate from aliphatic carboxylates. If sodium benzoate is specifically suspected, confirm with a reference standard measured under the same sampling conditions.

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 · 2884 1.00 - - -
2 · 1546 0.80 - - -
3 · 2815 0.60 - - -
4 · 1425 0.36 - - -
5 · 794 0.30 - - -
6 · 2846 0.30 - - -
7 · 1021 0.27 - - -
8 · 1059 0.25 - - -
9 · 1357 0.24 - - -
10 · 1241 0.21 - - -
11 · 717 0.20 - - -
12 · 2570 0.20 - - -
13 · 2477 0.17 - - -
14 · 2671 0.15 - - -
15 · 654 0.14 - - -
16 · 3058 0.12 - - -
17 · 1481 0.11 - - -
18 · 1664 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250528113050232669816 2025-05-28 12:45:41
Discussion

Comments and follow-up evidence

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