RESULT PAGE

carbonyl-containing organic material, likely an oxygenated aliphatic compound with ester- and/or acid-like features

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Result No.: 20250723165931563391934 Owner: publicuser Comments: 0
FTIR Analysis Report

carbonyl-containing organic material, likely an oxygenated aliphatic compound with ester- and/or acid-like features

Sample & Measurement Parameters

Report No. 20250723165931563391934
Date 2025-07-23 09:01:31
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR evidence does not support a firm assignment to 2-cyclopentylacetic acid as a specific compound. The spectrum is better described more broadly as a carbonyl-containing organic material with oxygenated aliphatic character. The strongest spectral features are the paired carbonyl-region bands at 1774 and 1715 cm-1 together with C-O region bands at 1236, 1120, and 1024 cm-1, which are more consistent with an oxygen-rich carbonyl system such as an ester-, anhydride-, lactone-, or related oxidized organic material than with a simple hydrocarbon. The weak library result and absence of direct or related literature support prevent a narrower conclusion

Detailed interpretation

  • Top library match: 2-cyclopentylacetic acid #402
  • A specific assignment to 2-cyclopentylacetic acid is not well supported because the library similarity is 0.000 and no supporting groups were extracted for that candidate.
  • A simple carboxylic acid assignment is limited because the spectrum list does not show a clear broad O-H band in the usual acid stretching region.
  • The paired carbonyl-region bands at 1774 and 1715 cm-1 are not a clean fit to a single simple aliphatic acid and instead suggest a more complex oxygenated carbonyl environment.
  • The Top-15 library candidates span acids, esters, ketones, aldehydes, polymers, and nitrogen-containing carbonyl compounds, which weakens any narrow structure claim.
  • No stable related-literature match was recovered for this sample.
  • Without band intensities, sample context, and confirmatory data, the spectrum cannot safely distinguish among ester, anhydride, lactone, acid derivative, or mixed-component possibilities.
  • The aromatic-region feature at 1594 cm-1 and out-of-plane region bands at 809 and 733 cm-1 are not sufficient on their own to establish a specific aromatic substitution pattern or a single defined molecule.

Recommended next steps: Re-examine the full spectrum for the presence or absence of a broad 2500-3300 cm-1 O-H envelope to test whether a carboxylic acid is truly present. Inspect the carbonyl region at higher spectral quality to determine whether the 1774 and 1715 cm-1 features behave like an anhydride-type pair, an ester plus second carbonyl, or a mixture. If available, run ATR-FTIR replicate measurements after cleaning the sampling surface to check whether the two-carbonyl pattern is intrinsic to the sample. Use complementary GC-MS or LC-MS if the sample is molecular, or Raman and thermal analysis if it is a bulk material, to distinguish among ester-, anhydride-, lactone-, or mixed oxygenated organic compositions.

Library Comparison

Match group:
Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
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Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1715 1.00 - - -
2 · 1236 0.48 - - -
3 · 1299 0.48 - - -
4 · 2941 0.41 - - -
5 · 1774 0.41 - - -
6 · 1594 0.37 - - -
7 · 1406 0.34 - - -
8 · 1452 0.33 - - -
9 · 1024 0.25 - - -
10 · 1120 0.23 - - -
11 · 809 0.21 - - -
12 · 733 0.14 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250723165931563391934 2025-07-23 09:01:31
Discussion

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