RESULT PAGE

oxygenated aromatic material with hydroxyl- and carbonyl-containing functionality, possibly including a chlorinated aromatic component

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Result No.: 20250708010754538819836 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated aromatic material with hydroxyl- and carbonyl-containing functionality, possibly including a chlorinated aromatic component

Sample & Measurement Parameters

Report No. 20250708010754538819836
Date 2025-07-08 08:09:24
Spectral Range (cm⁻¹) [(650, 1400), (1800, 2000), (2500, 3000), (3700, 4000)]
Baseline Disabled
Library match 0%

Identification Result

0%

The FTIR evidence does not support a firm assignment to a specific library compound. The nearest library hit is 5-Chloro-2-hydroxybenzoic acid, but all reported library similarities are 0.000 and no direct or related literature evidence independently confirms that identity. The observed spectrum is more safely described as an oxygenated aromatic material showing hydroxyl-containing and carbonyl-associated bands, with the lower-wavenumber fingerprint region also compatible with a possible chlorinated aromatic contribution

Detailed interpretation

  • Top library match: 5-Chloro-2-hydroxybenzoic acid #491
  • The leading library match has zero reported similarity, S-O the named compound is not strongly supported as an identification.
  • The spectrum does not show a clearly established carboxylic-acid O-H envelope sufficient to securely conclude a specific hydroxybenzoic acid.
  • The mixed Top-15 candidate list includes small acids, phenols, polymers, and other unrelated structures, limiting confidence in any narrow assignment.
  • The present evidence cannot distinguish reliably among phenolic, aromatic acid, ester-like, or other oxygenated aromatic possibilities.
  • Possible chlorine substitution is only inferential from the fingerprint region and library pattern, not directly confirmed.
  • A specific positional substitution pattern on an aromatic ring cannot be assigned from the current evidence packet alone.

Recommended next steps: Re-run the FTIR with baseline-checked, higher-quality collection to confirm whether a broad carboxylic-acid O-H band is truly present from about 2500-3300 cm-1. Compare the sample against authentic reference spectra for 5-Chloro-2-hydroxybenzoic acid and other oxygenated aromatic chlorinated compounds under the same measurement conditions. Use complementary analysis such as Raman, GC-MS/LC-MS, or NMR to determine whether the sample is a discrete aromatic acid/phenol or part of a more complex formulation. If chlorine content matters for the application, confirm it directly by XRF, elemental analysis, or mass spectrometric isotopic pattern review.

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 · 1225 1.00 - - -
2 · 1505 0.94 - - -
3 · 1435 0.89 - - -
4 · 682 0.88 - - -
5 · 1561 0.83 - - -
6 · 807 0.82 - - -
7 · 836 0.78 - - -
8 · 1258 0.77 - - -
9 · 1240 0.76 - - -
10 · 1650 0.73 - - -
11 · 1609 0.71 - - -
12 · 712 0.65 - - -
13 · 1370 0.63 - - -
14 · 796 0.60 - - -
15 · 1327 0.57 - - -
16 · 3108 0.49 - - -
17 · 1172 0.49 - - -
18 · 3321 0.45 - - -
19 · 1107 0.39 - - -
20 · 968 0.33 - - -
21 · 1015 0.30 - - -
22 · 857 0.15 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250708010754538819836 2025-07-08 08:09:24
Discussion

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