RESULT PAGE

oxygenated and possibly sulfur-containing material with O-H/N-H functionality

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Result No.: 20250422120010885839355 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated and possibly sulfur-containing material with O-H/N-H functionality

Sample & Measurement Parameters

Report No. 20250422120010885839355
Date 2025-04-22 18:06:29
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR evidence does not support a reliable assignment to a specific library compound. The library top hit is effectively non-matching, and the Top-15 candidates are chemically inconsistent with one another. The sample is more defensibly described as an oxygenated material that shows high-wavenumber O-H and/or N-H stretching and strong fingerprint-region absorption that could include S=O contribution, but the present evidence is not sufficient to confirm a specific sulfur compound, phenolic compound, or discrete library entity

Detailed interpretation

  • Top library match: disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane #24370
  • The leading library candidate, disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane, has 0.000 similarity and therefore is not a credible direct match.
  • The Top-15 candidates do not share a single chemically coherent identity; they span inorganic sulfur species, fluorinated organometallic-like compounds, phenolic aromatics, and aliphatic alcohols.
  • If the sample were narrowly assigned as a specific sulfur oxyanion salt, the prominent high-wavenumber O-H/N-H region would remain insufficiently explained.
  • If the sample were narrowly assigned as a phenolic aromatic, the unusual bands above 1790 cm-1 and the overall non-convergent library pattern would still limit confidence.
  • It remains unclear whether the high-wavenumber features arise from O-H, N-H, adsorbed moisture, or a mixture of these contributions.
  • The current spectrum does not securely distinguish between an oxygenated organic material, a sulfur-oxygen-containing material, or a mixed sample.
  • Possible aromatic, carbonyl-like, and sulfur-oxygen contributions are suggested but not firmly established by the available evidence.

Recommended next steps: Re-run FTIR on a freshly prepared dry sample and blank the instrument carefully to test whether the 3400-3784 cm-1 features are intrinsic or moisture-related. Inspect the sample in ATR and, if possible, in transmission to see whether the unusual 1795-2066 cm-1 region persists or is an artifact. Compare replicate spectra from different spots to evaluate sample heterogeneity or mixture behavior. If sulfur-containing material is suspected, verify with elemental analysis such as XRF, EDS, or ion chromatography for sulfur-bearing species.

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 · 1152 1.00 - - -
2 · 981 0.49 - - -
3 · 3562 0.46 - - -
4 · 1430 0.39 - - -
5 · 1618 0.30 - - -
6 · 782 0.29 - - -
7 · 3400 0.27 - - -
8 · 1684 0.21 - - -
9 · 1795 0.20 - - -
10 · 1874 0.19 - - -
11 · 3003 0.18 - - -
12 · 3784 0.17 - - -
13 · 2876 0.14 - - -
14 · 2066 0.11 - - -
15 · 1992 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250422120010885839355 2025-04-22 18:06:29
Discussion

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