RESULT PAGE

aromatic / sulfate

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Result No.: 20260416083227481743413 Owner: swagata6 Comments: 0
FTIR Analysis Report Moderate confidence

aromatic / sulfate

Sample & Measurement Parameters

Report No. 20260416083227481743413
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 72%

Identification Result

72%

The infrared spectrum points to a complex organic material containing aromatic and sulfate moieties, likely a polymeric or heavily modified organic matrix. While the nearest library match is dihydroxy-dioxotungsten, the observed bands from 1096 to 3338 cm⁻¹ are dominated by alkyl, carbonyl, hydroxyl/amide, and sulfate features that are more typical of an aromatic/sulfate-containing organic substance. The assignment remains uncertain because the precise identity cannot be confirmed from the library hit alone; however, the collective spectral evidence is most consistent with an organic material rich in carboxyl, amide, aliphatic chains, and sulfate groups 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: dihydroxy-dioxotungsten #77293
  • Aromatic C–H stretching above 3000 cm⁻¹ is not observed, which limits confidence in a highly aromatic structure; the aromatic character may be minor or arise from substituent effects.
  • The exact molecular architecture remains open; the observed spectral features could originate from a single multifunctional polymer or from a mixture of organic sulfates and carboxylates.
  • The sulfate assignment relies on peak‑position compatibility with the library direction rather than on a direct, cited literature attribution for this exact sample.
  • The presence of inorganic sulfate (e.g., jarosite‑type) cannot be excluded without complementary elemental analysis.

Recommended next steps: Perform elemental analysis (e.g., XRF or EDS) to check for the presence of tungsten and to assess the sulfur content; a positive tungsten signal would support the library match, whereas dominant carbon and oxygen would favour the organic interpretation. Acquire the spectrum in the far‑infrared (below 400 cm⁻¹) to search for metal‑oxygen lattice vibrations typical of dihydroxy-dioxotungsten. Complement the IR data with Raman spectroscopy or X‑ray diffraction to identify any crystalline inorganic phases that might be present. If the sample is soluble, obtain the ¹H/¹³C NMR spectrum to confirm the organic backbone and the presence of aromatic protons.

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 · 1743 0.68 - - -
2 · 2922 0.64 - - -
3 · 1156 0.60 - - -
4 · 3329 0.57 - - -
5 · 3338 0.57 - - -
6 · 1096 0.55 - - -
7 · 2851 0.46 - - -
8 · 1631 0.42 - - -
9 · 1462 0.40 - - -
10 · 2089 0.10 - - -
11 · 2037 0.10 - - -
12 · 2183 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260416083227481743413
Discussion

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