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aliphatic hydrocarbon with possible alkene character

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結果編號: 20250412170037765364682 擁有者: Admin 評論: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250412170037765364682 Date: 2025-04-13 11:31:49 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

aliphatic hydrocarbon with possible alkene character

General assessment
-
#56304 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Observed bands at 2976, 2943, and 2866 cm-1 support aliphatic sp3 C-H stretching.
  2. Bands at 1454 and 1369 cm-1 support methyl/methylene C-H bending typical of alkyl hydrocarbons.
  3. The 3009 cm-1 band provides limited support for possible alkene =C-H stretching.
Main limitation

The nearest library candidate, (Z)-Oct-2-ene, has a similarity score of 0.000, so it should not be treated as a supported identification.

Evidence & interpretation
Evidence

Key evidence

資料庫主要匹配
(Z)-Oct-2-ene #56304 | match 0.0%
材料方向
aliphatic hydrocarbon with possible alkene character The current FTIR evidence does not support a firm compound-level assignment. Although the nearest library hit is (Z)-Oct-2-ene, the match quality is effectively nil, and no direct or related literature evidence independently supports that identity. The observed spectrum is more safely described as an aliphatic hydrocarbon showing strong C-H stretching and bending features, with a possible alkene contribution suggested by the weak band near 3009 cm-1.
Support

Evidence supporting the conclusion

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

  1. Observed bands at 2976, 2943, and 2866 cm-1 support aliphatic sp3 C-H stretching.
  2. Bands at 1454 and 1369 cm-1 support methyl/methylene C-H bending typical of alkyl hydrocarbons.
  3. The 3009 cm-1 band provides limited support for possible alkene =C-H stretching.
  4. Several leading library candidates are unsaturated or saturated aliphatic hydrocarbons, which aligns better with the observed peak set than with strongly functionalized materials.
  5. The spectrum shows prominent aliphatic C-H stretching bands at 2976, 2943, and 2866 cm-1 and C-H deformation bands at 1454 and 1369 cm-1, consistent with a hydrocarbon-rich material.
  6. A band at 3009 cm-1 is compatible with =C-H stretching, which can indicate alkene unsaturation.
  7. The low-wavenumber band at 741 cm-1 can occur in hydrocarbon systems, including some substituted alkene or chain-related out-of-plane C-H motions, but by itself it is not sufficiently specific for a unique assignment.
  8. The top library list contains several small hydrocarbons and alkenes such as (Z)-Oct-2-ene and hept-1-ene, which is broadly consistent with a simple hydrocarbon interpretation.
  9. However, the reported library similarities are all 0.000, so the retrieval does not provide reliable identification support.
Limitations

Evidence that limits the conclusion

  • The nearest library candidate, (Z)-Oct-2-ene, has a similarity score of 0.000, so it should not be treated as a supported identification.
  • The library consensus statement suggesting nitrogen heterocycle / oxygen heterocycle is not supported by the observed peak set, which lacks characteristic heteroatom-containing bands such as broad O-H/N-H stretching or clear carbonyl absorption.
  • The present spectrum does not show enough distinguishing bands to justify halogenated, aromatic, alcohol, amine, or heterocyclic assignments from the mixed low-quality library candidates.
  • The spectrum is sparse and dominated by common hydrocarbon bands, which limits specificity.
  • Possible alkene character is suggested but not proven, because the expected C=C stretching region is not represented in the reported peak list.
  • Without stronger fingerprint-region agreement or corroborating reference evidence, the sample could be one of several simple aliphatic hydrocarbons rather than specifically (Z)-Oct-2-ene.
Recommendation

Suggested next verification

  • Reacquire the FTIR spectrum with full fingerprint-region coverage and improved signal-to-noise, especially across about 650-1800 cm-1.
  • Check specifically for an alkene C=C stretching band near 1640-1680 cm-1 to verify whether unsaturation is truly present.
  • Compare the sample against authentic spectra of simple alkenes and alkanes, including octene and heptene isomers, rather than relying on the current low-match library result.
  • If available, confirm with GC-MS, which is well suited to distinguishing small volatile hydrocarbons and positional isomers.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 2943 1.00 - - - -
2 · 2976 0.62 - - - -
3 · 3009 0.38 - - - -
4 · 2866 0.34 - - - -
5 · 1454 0.22 - - - -
6 · 741 0.15 - - - -
7 · 1369 0.10 - - - -
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

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  來自 : Seattle, United States
  • 13 四月 '25

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