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RESULTATSIDE

carboxylate salt with a six-membered ring, plausibly aromatic

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Resultat nr.: 20250528113050232669816 Ejer: publicuser Kommentarer: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250528113050232669816 Date: 2025-05-28 12:45:41 Reported by: FTIR.fun Contact: [email protected]

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Top15

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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

carboxylate salt with a six-membered ring, plausibly aromatic

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Conclusion
  1. Top-15 library candidates are dominated by carboxylate salts, supporting a carboxylate-containing material direction.
  2. The leading library label is SODIUM BENZOATE, which is chemically consistent with a ring-bearing carboxylate salt direction.
  3. Bands at 1546 and 1425 cm-1 support a carboxylate salt interpretation more than a simple neutral hydrocarbon.
Evidence & interpretation
Evidence

Key evidence

Biblioteksledende match
SODIUM BENZOATE #37733
Limitations

Evidence that limits the conclusion

  • 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.
Recommendation

Suggested next verification

  • 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.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
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 - - - -
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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
Diskussion

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Admin  fra : Seattle, United States
  • 28 Maj '25

The above shows the FTIR analysis results of a jpg file uploaded by a user (IP: 103.XX ). The original image is displayed below.20250528113209081704097.jpgCSV FILE:csv.CSV

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