RESULT PAGE

aromatic / methoxy

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Result No.: 20260415163508299523274 Owner: himansusekhara Comments: 0
FTIR Analysis Report Moderate confidence

aromatic / methoxy

Sample & Measurement Parameters

Report No. 20260415163508299523274
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 78%

Identification Result

78%

The spectral pattern indicates an aromatic compound with methoxy substituents, rather than chloroform, which the top library hit suggests but lacks the required functional 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: Chloroform #76627
  • The top‑1 library match, chloroform, cannot be reconciled with the observed aromatic and methoxy signatures; its library supporting groups (acetate, methoxy, etc.) are artifacts from the similarity metric.
  • No distinct halogen stretching bands (e.g., C–Cl near 600–800 cm⁻¹) are evident, contradicting halogenated species.
  • The exact molecular identity remains unresolved; the spectrum could correspond to a lignin‑derived material, a methoxylated phenolic resin, or a synthetic aromatic polyether.
  • The absence of a strong carbonyl band (~1700 cm⁻¹) suggests limited carboxylic acid or ester content, though conjugation may shift carbonyls lower and cannot be ruled out.
  • The assignment of 772 cm⁻¹ is based on analogy and requires corroboration; alternative origins such as silicate or carbonate bands cannot be excluded without further analysis.

Recommended next steps: Acquire a high‑resolution FTIR spectrum with rigorous subtraction of H₂O and CO₂ to resolve the aromatic pattern and detect weak bands that may reveal substitution details. Perform complementary analyses such as ¹H/¹³C NMR, pyrolysis‑GC/MS, or derivatization followed by GC‑MS to identify methoxy content and aromatic substitution pattern. Compare the spectrum with reference databases of lignin, tannins, methoxylated novolacs, and poly(vinylmethylether) to narrow possibilities.

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 · 772 1.00 - - -
2 · 2360 0.22 - - -
3 · 1219 0.20 - - -
4 · 670 0.16 - - -
5 · 1604 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260415163508299523274
Discussion

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