RESULT PAGE

oxygenated carbonyl compound, most consistent with an ester or carbonate

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Result No.: 20250505154523192666371 Owner: Kamila Comments: 0
FTIR Analysis Report

oxygenated carbonyl compound, most consistent with an ester or carbonate

Sample & Measurement Parameters

Report No. 20250505154523192666371
Date 2025-05-06 03:33:57
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The spectrum is most safely interpreted as an oxygenated carbonyl-containing organic material, with the strongest support for an ester-like or carbonate-like structure rather than a firm assignment to Diethyl carbonate itself. The key evidence is a strong carbonyl band at 1722 cm-1 together with multiple C-O stretching features at 1274, 1125, and 1076 cm-1, plus aliphatic C-H absorption near 2923 cm-1. Although the top library hit is Diethyl carbonate, the retrieval confidence is effectively absent and no direct reference or closely aligned literature evidence confirms that specific identity

Detailed interpretation

  • Top library match: Diethyl carbonate #81980
  • The library match quality is extremely weak: all reported top candidates have 0.000 similarity, S-O the named top hit cannot be treated as a reliable identification.
  • The Top-15 candidates are chemically mixed, including carbonate, benzoate esters, fluorinated species, aldehydes, and N-containing compounds, which limits confidence in any narrow assignment.
  • No related-literature evidence was recovered to narrow the structure beyond a broad oxygenated carbonyl direction.
  • The present peak list supports functional groups more strongly than a unique molecule.
  • It remains uncertain whether the carbonyl-containing material is a simple aliphatic ester, a carbonate, or an aromatic ester.
  • The lower-frequency bands do not securely distinguish between non-aromatic and aromatic ester subclasses in the absence of stronger corroborating features.

Recommended next steps: Reacquire the FTIR spectrum with full baseline-corrected intensity data and a wider interpretive review of the 1800-650 cm-1 region to better resolve the carbonyl and C-O pattern. Check specifically for ester versus carbonate differentiation by examining the exact shape and relative intensity of the 1274, 1125, and 1076 cm-1 bands. Inspect the 3100-3000 cm-1 and 1600-1500 cm-1 regions for aromatic C-H and ring bands to test whether an aromatic benzoate-type ester is present. If the sample is liquid or extractable, confirm by GC-MS or LC-MS to distinguish Diethyl carbonate from other low-molecular-weight esters or carbonate-containing compounds.

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 · 1274 1.00 - - -
2 · 1722 0.39 - - -
3 · 744 0.25 - - -
4 · 1125 0.25 - - -
5 · 1076 0.19 - - -
6 · 703 0.14 - - -
7 · 961 0.12 - - -
8 · 2923 0.12 - - -
9 · 1462 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250505154523192666371 2025-05-06 03:33:57
Discussion

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