RESULT PAGE

small halogenated organic compound with fingerprint-region C-O and substituted alkyl or vinyl features

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Result No.: 20241115103359692578180 Owner: Admin Comments: 0
FTIR Analysis Report

small halogenated organic compound with fingerprint-region C-O and substituted alkyl or vinyl features

Sample & Measurement Parameters

Report No. 20241115103359692578180
Date 2024-11-15 02:34:59
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The present FTIR result does not support a secure assignment to the top library hit as a specific compound. The library match is very weak, with all leading candidates at effectively zero similarity and with chemically mixed top hits. The observed spectrum is dominated by fingerprint-region bands at 697, 916, 988, 1099, 1141, 1204, 1234, and 1243 cm-1, which is more safely described as a small halogenated organic material showing C-O-containing fingerprint absorption and substituted alkyl or vinyl-type deformation features. A narrower claim such as 2,2,2-TRICHLOROETHYL CHLOROFORMATE is not well supported because no clear carbonyl band is reported, and no direct reference or related-literature evidence confirms that identity

Detailed interpretation

  • Top library match: 2,2,2-TRICHLOROETHYL CHLOROFORMATE #57632
  • The library confidence is low and all reported top similarities are 0.000, which strongly limits the credibility of the named top hit.
  • The top-15 candidate set does not converge on one consistent structure class beyond broad halogenated-organic character.
  • A chloroformate assignment would normally require clear support for a carbonyl-containing functionality, but no such band is listed among the observed peaks.
  • The current peak list is limited to the fingerprint region, S-O key distinguishing stretches outside this range cannot be assessed.
  • The presence and identity of the halogen cannot be confirmed from FTIR alone from this evidence set.
  • C-O-containing material is plausible, but the exact functionality cannot be distinguished here between possibilities such as ester-like, ether-like, or other oxygenated halogenated organics.

Recommended next steps: Re-examine the full FTIR spectrum, especially 1500-1900 cm-1, to determine whether a strong carbonyl band is present; this is critical for testing the chloroformate-like library hit. Inspect the 2800-3100 cm-1 region for C-H stretching and the 3000-3700 cm-1 region for any O-H or N-H absorption to narrow the functional class. If the sample is important to identify, confirm elemental content with GC-MS or LC-MS and, if possible, halogen-specific analysis to determine whether chlorine, fluorine, bromine, or iodine is actually present. Compare against targeted reference spectra of small halogenated oxygenated compounds rather than relying on the current broad low-score library list.

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 · 1141 1.00 - - -
2 · 1243 0.60 - - -
3 · 1234 0.39 - - -
4 · 1099 0.20 - - -
5 · 1204 0.19 - - -
6 · 988 0.15 - - -
7 · 697 0.15 - - -
8 · 916 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241115103359692578180 2024-11-15 02:34:59
Discussion

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