RESULT PAGE

aliphatic organic material with C-O stretching features, possibly an ester- or ether-containing compound

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Result No.: 20250502213648339279500 Owner: publicuser Comments: 1
FTIR Analysis Report

aliphatic organic material with C-O stretching features, possibly an ester- or ether-containing compound

Sample & Measurement Parameters

Report No. 20250502213648339279500
Date 2025-05-02 23:30:20
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The library top hit is propan-2-yl cyclohexanecarboxylate, but the match quality is effectively absent and is not strong enough to support an identification of that specific compound. The measured spectrum is dominated by bands in the fingerprint region, especially 1034-1284 cm-1, which is consistent with C-O stretching in an aliphatic oxygen-containing organic material. However, the present peak list does not include a clear ester carbonyl band near the expected 1700-1750 cm-1 region, so a specific cyclohexanecarboxylate ester assignment is not securely supported. A broader direction of an aliphatic organic material containing C-O bonds is chemically safer on the current evidence

Detailed interpretation

  • Top library match: propan-2-yl cyclohexanecarboxylate #55760
  1. The library top hit is propan-2-yl cyclohexanecarboxylate, but the match quality is effectively absent and is not strong enough to support an identification of that specific compound. The measured spectrum is dominated by bands in the fingerprint region, especially 1034-1284 cm-1, which is consistent with C-O stretching in an aliphatic oxygen-containing organic material. However, the present peak list does not include a clear ester carbonyl band near the expected 1700-1750 cm-1 region, S-O a specific cyclohexanecarboxylate ester assignment is not securely supported. A broader direction of an aliphatic organic material containing C-O bonds is chemically safer on the current evidence.
  • A specific assignment to propan-2-yl cyclohexanecarboxylate is not supported because the reported library similarity is 0.000.
  • A narrow ester identification is limited by the absence, in the provided peak list, of a characteristic strong ester carbonyl band near about 1700-1750 cm-1.
  • The library Top-15 candidates are internally contradictory, including nitrogen heterocycle, amide, and halogenated solvent possibilities, S-O the retrieval pattern does not consistently reinforce one specific structure class.
  • The current evidence does not distinguish confidently between an ester and another oxygen-containing aliphatic compound such as an ether-rich material.
  • Without information from the carbonyl region, C-H stretching region, or sample context, the molecular backbone and substitution pattern remain uncertain.
  • The low-quality reference library comparison prevents a defensible entity-level conclusion.

Recommended next steps: Reacquire the FTIR spectrum over the full range with attention to the 1800-1500 cm-1 region to check for a characteristic ester carbonyl band. Inspect the 3000-2800 cm-1 region for aliphatic C-H stretching and the 3500-3200 cm-1 region for any O-H or N-H bands that would redirect the interpretation. If available, compare against authenticated spectra of the library top hit and a small set of simple aliphatic esters and ethers rather than relying on the present low-match library ranking. Use a complementary method such as GC-MS or LC-MS if the sample is a small molecule mixture or liquid, since that would quickly test whether a cyclohexanecarboxylate ester is actually present.

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 · 721 1.00 - - -
2 · 744 0.29 - - -
3 · 1034 0.28 - - -
4 · 669 0.23 - - -
5 · 1086 0.20 - - -
6 · 1117 0.20 - - -
7 · 1094 0.19 - - -
8 · 1209 0.19 - - -
9 · 1284 0.17 - - -
10 · 1191 0.15 - - -
11 · 1386 0.15 - - -
12 · 1057 0.13 - - -
13 · 965 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250502213648339279500 2025-05-02 23:30:20
Discussion

Comments and follow-up evidence

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The above shows the FTIR analysis results of a png file uploaded by a user (IP: 2403::). The original image is displayed below.20250502213648339279500.pngFor such samples in the future, we will provide them in CSV format converted from raw files, making it easier for users to further analyze using our site’s range search technology and other tools. It also allows users to download the data for analysis and share their findings or suggestions.tem.csv

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