RESULT PAGE

Oxalate salt (carboxylate)

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Result No.: 20260617135645201607914 Owner: laboratoire_des_substances_naturelles Comments: 0
FTIR Analysis Report High confidence

Oxalate salt (carboxylate)

Sample & Measurement Parameters

Report No. 20260617135645201607914
Date 2026-06-17 13:07:29
Spectral Range (cm⁻¹) [(400, 4000)]
Baseline AsLS baseline correction
Library match 86%

Identification Result

86%

The spectrum is dominated by bands characteristic of carboxylate (oxalate‑like) absorptions, indicating a metal oxalate salt as the primary material. Superimposed aliphatic C–H stretching suggests an organic additive or contamination

Detailed interpretation

  • Top library match: Disodium oxalate #142581
  • No clear C=O ester or amide I band pattern is observed that would independently confirm a significant protein or polyamide fraction, reducing the likelihood of those assignments being dominant.
  • The library’s medium confidence (0.81) and the small lead gap among the top candidates introduce some ambiguity about the exact metal counter‑ion (sodium, potassium, calcium, etc.).
  • The presence of a C–H stretch at 2931 cm⁻¹ and the literature‑derived amide possibilities suggest that the sample is not a pure single‑component oxalate; the exact proportion of organic adjunct remains unknown.
  • The 1885 cm⁻¹ band is unexplained by the oxalate model and lacks a candidate assignment in the evidence table, adding to the overall compositional uncertainty.

Recommended next steps: Confirm the oxalate identity by X‑ray diffraction or Raman spectroscopy, focusing on the 1626/1313 cm⁻¹ doublet. Perform elemental analysis (e.g., EDS or ICP) to identify the metal cation and assess the sodium content suggested by the library hit. If the weak 2931 cm⁻¹ C–H band is significant, extract the organic fraction and analyze by GC‑MS or NMR to identify the hydrocarbon additive.

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 · 510 1.00 - - -
2 · 770 0.95 - - -
3 · 1313 0.85 - - -
4 · 1626 0.84 - - -
5 · 1414 0.14 - - -
6 · 1885 0.08 - - -
7 · 3790 0.03 - - -
8 · 2931 0.03 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260617135645201607914 2026-06-17 13:07:29
Discussion

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