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carbonyl-containing aliphatic organic material with methyl groups

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Result No.: 20241014090233450343515 Owner: Admin Comments: 1
FTIR Analysis Report

carbonyl-containing aliphatic organic material with methyl groups

Sample & Measurement Parameters

Report No. 20241014090233450343515
Date 2024-10-14 06:32:46
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern supports a broad assignment to a carbonyl-containing aliphatic organic material with methyl substitution, but the library match itself is non-specific and there is no direct or related literature evidence that securely identifies a narrower substance. The strongest sample-based features are the ester- or ketone-like carbonyl band at 1726 cm-1, aliphatic C-H stretching at 2958 and 2873 cm-1, CH deformation bands at 1452 and 1382 cm-1, and several strong fingerprint-region absorptions at 1235, 1160, and 1063 cm-1 consistent with C-O-containing carbonyl chemistry. Bands near 992, 941, 908, 841, and 759 cm-1 indicate additional fingerprint structure, but without stronger corroborating evidence they do not justify a specific entity claim

Detailed interpretation

  • Top library match: 0-00-0 #16755
  • The nearest library result has 0.000 similarity and therefore does not provide meaningful entity-level support.
  • Top-ranked library candidates do not converge on one chemically consistent named material.
  • The library consensus mentions N-H-related motifs, but the sample does not show a clear N-H stretching band in the usual 3300-3500 cm-1 region.
  • A narrower assignment requiring aromatic, chlorine, sulfur oxide, or clear nitrogen functionality is not supported by the observed peak list.
  • It remains uncertain whether the 1726 cm-1 band represents an ester, ketone, acid derivative, or mixed material containing more than one carbonyl environment.
  • The fingerprint bands below 1000 cm-1 could reflect substitution pattern, unsaturation, or out-of-plane modes, but the present evidence does not constrain these possibilities reliably.
  • Because the reference library comparison is effectively non-matching, the final conclusion must remain at a broad material-direction level rather than a named substance.

Recommended next steps: Verify whether the sample is an ester by checking for strong companion C-O bands in the full original spectrum and by comparing relative intensity around 1250-1050 cm-1. Inspect the raw spectrum for any weak N-H or O-H stretching features above 3000 cm-1 to test the library suggestion of N-H versus a purely oxygenated carbonyl material. Compare against targeted reference spectra for common aliphatic esters, ketones, and acrylate-type materials that absorb near 1726, 1235, 1160, and 1063 cm-1. If available, use complementary GC-MS or NMR to distinguish a single oxygenated organic compound from a mixture or formulated material.

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 · 1726 1.00 - - -
2 · 1160 0.85 - - -
3 · 1235 0.36 - - -
4 · 1063 0.29 - - -
5 · 1452 0.23 - - -
6 · 2958 0.23 - - -
7 · 841 0.21 - - -
8 · 941 0.21 - - -
9 · 992 0.20 - - -
10 · 908 0.16 - - -
11 · 759 0.16 - - -
12 · 1382 0.15 - - -
13 · 2873 0.12 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241014090233450343515 2024-10-14 06:32:46
Discussion

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