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aliphatic hydrocarbon with possible alkene character

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Result No.: 20250412170037765364682 Owner: Admin Comments: 1
FTIR Analysis Report

aliphatic hydrocarbon with possible alkene character

Sample & Measurement Parameters

Report No. 20250412170037765364682
Date 2025-04-13 11:31:49
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

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

Detailed interpretation

  • Top library match: (Z)-Oct-2-ene #56304
  • The nearest library candidate, (Z)-Oct-2-ene, has a similarity score of 0.000, S-O 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.

Recommended next steps: 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.

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 · 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 — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250412170037765364682 2025-04-13 11:31:49
Discussion

Comments and follow-up evidence

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en&2
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