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aliphatic hydrocarbon-type material with possible halogen substitution

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Result No.: 20250617164600685634912 Owner: publicuser Comments: 1
FTIR Analysis Report

aliphatic hydrocarbon-type material with possible halogen substitution

Sample & Measurement Parameters

Report No. 20250617164600685634912
Date 2025-06-20 01:51:42
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The ordinary FTIR search does not support a firm compound-level identification for this sample. Although the nearest library entry is 2-Bromoheptane, all listed library similarities are 0.000 and no direct or related literature evidence narrows the assignment. The observed spectrum is more safely described as an aliphatic hydrocarbon-type material, dominated by strong C-H stretching and bending bands, with a possible contribution from halogen substitution because of low-wavenumber bands near 660-769 cm⁻¹. However, those low-wavenumber features are not sufficient on their own to confirm a specific bromoalkane

Detailed interpretation

  • Top library match: 2-Bromoheptane #232
  • The leading library candidate 2-Bromoheptane is not strongly supported because the reported similarity is 0.000.
  • The top library candidates do not converge on one chemical class, which limits confidence in any narrow identification.
  • Features near 1645 and 3170-3178 cm⁻¹ are not well explained by a simple saturated bromoalkane alone.
  • The low-wavenumber bands are not sufficient to confirm bromine substitution versus other fingerprint-region causes.
  • The current evidence cannot distinguish reliably between a simple alkane, a halogenated alkane, or a mixture containing an aliphatic hydrocarbon component.
  • Because no literature-backed reference match was recovered, the material direction must remain broad.

Recommended next steps: Verify halogen content with complementary elemental analysis such as XRF, EDS, or combustion/ion chromatography if bromine or chlorine is specifically suspected. Collect a higher-quality FTIR spectrum with good baseline control and sample preparation focused on the fingerprint region below 800 cm⁻¹, where halogen-related bands would be most informative. Use GC-MS if the sample is volatile or solvent-extractable, since a small halogenated alkane such as 2-Bromoheptane would be much more securely tested by mass spectrometry than by this FTIR match alone. If the sample may be a mixture, separate volatile and nonvolatile fractions before re-running FTIR or GC-MS.

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 · 1442 1.00 - - -
2 · 2835 0.98 - - -
3 · 1469 0.88 - - -
4 · 1368 0.83 - - -
5 · 2950 0.80 - - -
6 · 2857 0.78 - - -
7 · 2941 0.68 - - -
8 · 2904 0.65 - - -
9 · 2972 0.61 - - -
10 · 2925 0.59 - - -
11 · 2913 0.57 - - -
12 · 2878 0.55 - - -
13 · 2889 0.54 - - -
14 · 712 0.35 - - -
15 · 729 0.24 - - -
16 · 982 0.20 - - -
17 · 749 0.19 - - -
18 · 1150 0.19 - - -
19 · 675 0.18 - - -
20 · 1002 0.18 - - -
21 · 2673 0.17 - - -
22 · 1021 0.17 - - -
23 · 1645 0.17 - - -
24 · 1047 0.15 - - -
25 · 1067 0.14 - - -
26 · 1079 0.14 - - -
27 · 769 0.14 - - -
28 · 660 0.13 - - -
29 · 3004 0.13 - - -
30 · 3170 0.13 - - -
31 · 3178 0.13 - - -
32 · 1295 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250617164600685634912 2025-06-20 01:51:42
Discussion

Comments and follow-up evidence

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The above shows the FTIR analysis results of a jpg file uploaded by a user from UK . The original image is displayed below.20250617164600685634912.jpgCSV FILE: tem.csv

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