RESULT PAGE

Halogenated long-chain hydrocarbon (type alkyl halide)

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Result No.: 20251104104514589610012 Owner: publicuser Comments: 0
FTIR Analysis Report Low confidence

Halogenated long-chain hydrocarbon (type alkyl halide)

Sample & Measurement Parameters

Report No. 20251104104514589610012
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 29%

Identification Result

29%

The sample spectrum is dominated by bands of a long methylene chain, and a possible C‑Cl stretching mode near 719 cm⁻¹ suggests a halogenated aliphatic hydrocarbon; the library‑matched 1‑chloroicosane and the observed ethylene‑like pattern are consistent with this direction, while no aromatic or methacrylate bands are present FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.

Detailed interpretation

  • Top library match: 1-chloroicosane #71290
  • No bands indicative of aromatic rings (C–H stretching above 3000 cm⁻¹, ring C=C modes near 1600 cm⁻¹) or carbonyl groups (ca. 1730 cm⁻¹) are observed, contradicting the aromatic/methacrylate direction suggested by the library consensus.
  • The library similarity is zero for all top candidates, indicating a poor overall match.
  • The library match confidence is low (15%), and the exact identity cannot be narrowed beyond the halogenated long‑chain class without additional information.
  • The 719 cm⁻¹ band is ambiguous: it may represent C–Cl stretching (as in PVC) or CH₂ rocking of a polymethylene chain; the halogen type (Cl vs Br) remains undetermined.

Recommended next steps: Perform elemental analysis (XRF/EDS) to confirm the presence of chlorine or bromine. Compare spectral data with reference spectra of known 1‑chloro‑ and 1‑bromo‑alkane standards. Run complementary techniques such as Raman spectroscopy or mass spectrometry to further elucidate the molecular structure.

Library Comparison

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 · 2919 1.00 - - -
2 · 2849 0.78 - - -
3 · 1466 0.35 - - -
4 · 719 0.29 - - -
5 · 1376 0.21 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20251104104514589610012
Discussion

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