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small unsaturated organic compound with possible nitrile or vinyl character

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Ergebnis Nr.: 20241016224112254757736 Besitzer: Admin Kommentare: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20241016224112254757736 Date: 2024-10-17 00:07:44 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

small unsaturated organic compound with possible nitrile or vinyl character

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Conclusion
  1. The leading library name is prop-2-enenitrile, S-O a nitrile-containing unsaturated small molecule is one plausible direction to consider.
  2. The presence of another nitrile candidate, but-3-enenitrile, among the higher-ranked entries provides weak library-level consistency for possible nitrile character.
  3. The 937 cm-1 band is at least compatible with a vinyl-type feature, which fits the unsaturated character present in several leading candidates.
Evidence & interpretation
Evidence

Key evidence

Bibliotheks-Haupttreffer
prop-2-enenitrile #38765
Limitations

Evidence that limits the conclusion

  • 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.
Recommendation

Suggested next verification

  • 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.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 937 1.00 - - - -
2 · 3681 0.23 - - - -
3 · 2358 0.15 - - - -
4 · 1481 0.11 - - - -
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Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction was cancelled by the user.

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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Admin  von : Seattle, United States
  • 17 Okt '24

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