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small unsaturated organic compound with possible nitrile or vinyl character

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Result No.: 20241016224112254757736 Owner: Admin Comments: 1
FTIR Analysis Report

small unsaturated organic compound with possible nitrile or vinyl character

Sample & Measurement Parameters

Report No. 20241016224112254757736
Date 2024-10-17 00:07:44
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline Disabled
Library match 0%

Identification Result

0%

The ordinary FTIR search does not support a firm identification of this sample as prop-2-enenitrile, despite that name being the nearest library entry. The match quality is effectively absent, the peak set is very sparse, and there is no direct or related literature support. The observed bands are more consistent with a very limited indication of a small unsaturated organic material, with possible nitrile or vinyl character, than with a secure assignment to any specific compound

Detailed interpretation

  • Top library match: prop-2-enenitrile #38765
  • A characteristic nitrile stretching band would usually be expected in the ~2210-2260 cm-1 region, but the reported peak is at 2358 cm-1, which does not securely support a nitrile assignment.
  • The 2358 cm-1 feature is not specific for prop-2-enenitrile and can arise from non-sample contributions, S-O it should not be treated as identifying evidence.
  • A distinct broad oxygenated pattern or clear epoxide-defining set is not reported, which limits support for the 2-ethenyloxirane candidates.
  • No clear bands are reported to support chlorinated polymer, silicate, or paraformaldehyde interpretations from other Top-15 entries.
  • Because all library similarities are 0.000, the top hit itself lacks direct spectral matching strength.
  • The current spectrum contains too few reported bands to distinguish among nitrile-bearing, vinyl-bearing, oxygen-containing, or unrelated low-match possibilities.
  • The 3681 cm-1 band may indicate a free O-H contribution, trace moisture, or another minor component, but it is not sufficient to define the main material.
  • Without stronger bands in the fingerprint region and confirmation of the 2200-2260 cm-1 region, the sample cannot be safely narrowed to prop-2-enenitrile or another specific compound.

Recommended next steps: Recollect the FTIR spectrum with improved signal quality and full baseline treatment, especially across 650-1800 and 2100-2300 cm-1. Check whether the 2358 cm-1 feature persists after background correction; if it disappears or weakens strongly, do not use it as sample evidence. Specifically verify whether a distinct nitrile band appears near 2210-2260 cm-1; that would materially strengthen or weaken the nitrile direction. Inspect the 900-1000 cm-1 region for repeatable vinyl-related bands and the 1600-1650 cm-1 region for C=C stretching support.

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 · 937 1.00 - - -
2 · 3681 0.23 - - -
3 · 2358 0.15 - - -
4 · 1481 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241016224112254757736 2024-10-17 00:07:44
Discussion

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