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EREDMÉNY OLDAL

small unsaturated organic compound with possible nitrile or vinyl character

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Eredmény száma: 20241016224112254757736 Tulajdonos: Admin Hozzászólások: 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

General assessment
-
#38765 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The leading library name is prop-2-enenitrile, so 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.
Main limitation

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.

Evidence & interpretation
Evidence

Key evidence

Könyvtár vezető egyezés
prop-2-enenitrile #38765 | match 0.0%
Anyag iránya
small unsaturated organic compound with possible nitrile or vinyl character 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.
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. The leading library name is prop-2-enenitrile, so 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.
  4. The top library hit is prop-2-enenitrile, but all reported library similarities are 0.000, so the retrieval provides only a weak positional suggestion rather than a usable identification.
  5. The measured peaks are limited to 937, 1481, 2358, and 3681 cm-1, which is too little spectral information for a narrow compound call.
  6. A small band near 937 cm-1 can be compatible with out-of-plane motion from a terminal alkene or related vinyl-type feature.
  7. The top-ranked library candidates include prop-2-enenitrile, but-3-enenitrile, and 2-ethenyloxirane, which loosely share unsaturation and small-molecule character, but they do not converge on one chemically secure material class.
  8. The broader Top-15 pattern is inconsistent, also including chlorinated, siloxane, polysilicate, and formaldehyde-related entries, which limits confidence in any narrow direction.
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, so 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.

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 - - - -
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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  • 17 Okt '24

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