RESULT PAGE

Oxygenated material: inorganic sulfate hydrate or organic polyether/glycol

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Result No.: 20260120132404746729903 Owner: publicuser Comments: 0
FTIR Analysis Report Moderate confidence

Oxygenated material: inorganic sulfate hydrate or organic polyether/glycol

Sample & Measurement Parameters

Report No. 20260120132404746729903
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 70%

Identification Result

70%

The FTIR spectrum is dominated by a single intense absorption at 1112 cm⁻¹. The library match suggests aluminum ammonium disulfate dodecahydrate, but high-ranking candidates also include poly(vinyl methyl ether) and polyethylene glycols. The band at 1112 cm⁻¹ is consistent with both the asymmetric S=O stretching of sulfate ions, as expected in alums, and the C–O–C symmetric stretch of aliphatic ethers, typical of polyethers. Consequently, the material can be broadly classified as an oxygen-rich compound, likely either an inorganic sulfate hydrate or an organic polyether/glycol, with the available single peak preventing a more definitive assignment 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: aluminum azanium disulfate dodecahydrate #15352
  • The inorganic alum compounds and organic polymers represent fundamentally different material classes; the spectrum alone cannot discriminate between them.
  • The single band at 1112 cm⁻¹ lacks companion absorptions (e.g., O–H/N–H stretching above 3000 cm⁻¹, fingerprint patterns) necessary to distinguish sulfate from ether.
  • With only one prominent peak, the material identity remains ambiguous; both sulfate and ether functionalities are plausible.
  • The library similarity score (0.73) is moderate, and the gap to the next candidate is very small (0.007), allowing multiple chemical interpretations.

Recommended next steps: Recording the full mid-IR spectrum, particularly the O–H/N–H stretching region (3000–3700 cm⁻¹) and the fingerprint region (400–1500 cm⁻¹), would clarify whether the material is a hydrated sulfate (presence of water O–H stretch, sulfate ν3 band shape) or an organic polyether (alkyl C–H stretches, absence of strong sulfate bands). Supplementary techniques such as X-ray diffraction, elemental analysis, or Raman spectroscopy are advised to confirm the exact chemical nature.

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 · 1112 1.00 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260120132404746729903
Discussion

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