RESULT PAGE

weakly matched aromatic organic material with limited evidence for a substituted benzene-type compound

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Result No.: 20250619230528581431115 Owner: publicuser Comments: 1
FTIR Analysis Report

weakly matched aromatic organic material with limited evidence for a substituted benzene-type compound

Sample & Measurement Parameters

Report No. 20250619230528581431115
Date 2025-06-20 02:51:34
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The current FTIR evidence is too limited to support a firm compound identification. Although the nearest library entry is 1-Chloro-2-iodobenzene, the match confidence is effectively absent and there is no direct or related literature support confirming that assignment. The observed bands at about 1595, 1396, and 1032 cm-1 are more safely interpreted as indicating an organic material with possible aromatic character and a fingerprint-region band consistent with substituted aromatic or C-O/C-X-containing structures, but they do not uniquely establish a halogenated benzene. The most chemically supportable conclusion is therefore a weakly matched aromatic organic material, possibly a substituted benzene-type compound, rather than a confirmed named substance

Detailed interpretation

  • Top library match: 1-Chloro-2-iodobenzene #113
  • All listed library similarities are 0.000, S-O the nearest hit is not a meaningful spectral match.
  • There are no supporting group assignments or characteristic supporting peaks linking the sample specifically to 1-Chloro-2-iodobenzene.
  • The observed peaks do not show a distinctive set of bands that would securely confirm aryl chloride, aryl iodide, alcohol, nitrile, ester, or polymer assignments among the competing candidates.
  • The fingerprint-region evidence is too sparse to distinguish between substituted aromatic, oxygenated organic, or other small-molecule organic possibilities.
  • Any halogen assignment remains speculative because characteristic support for C-Cl or C-I is not established from the present peak list.
  • The current data do not show enough characteristic bands to separate a discrete small molecule from possible mixed or impure organic material.

Recommended next steps: Recollect the FTIR spectrum over the full range with improved signal quality, especially below 1000 cm-1, where substituted aromatic and carbon-halogen bands are often more informative. Check whether additional bands are present near the aromatic C-H stretching region around 3000 cm-1 and the out-of-plane aromatic substitution region around 900-650 cm-1 to test the substituted benzene possibility. If available, confirm composition with GC-MS or LC-MS for a small-molecule sample, or complementary Raman spectroscopy if aromatic substitution pattern information is needed. If the sample is suspected to be halogenated, elemental screening such as XRF or MS isotope-pattern analysis would help verify the presence of Cl or I before accepting the library hit.

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 · 1032 1.00 - - -
2 · 1595 0.14 - - -
3 · 1396 0.13 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250619230528581431115 2025-06-20 02:51:34
Discussion

Comments and follow-up evidence

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The above shows the FTIR analysis results of a DOC file uploaded by a user from UK . The original image is displayed below.11.png Extracted CSV file:tem.csv

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