RESULT PAGE

ester-containing organic material with aliphatic C-H bands

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Result No.: 20250523103046505648076 Owner: publicuser Comments: 1
FTIR Analysis Report

ester-containing organic material with aliphatic C-H bands

Sample & Measurement Parameters

Report No. 20250523103046505648076
Date 2025-05-23 12:37:10
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR evidence does not support a confident assignment to methyl prop-2-ynoate as a specific compound. The observed spectrum is more securely described as an ester-containing organic material showing aliphatic C-H absorption. The strongest sample bands are a carbonyl near 1737 cm-1, a C-O-related band near 1236 cm-1, and alkyl C-H stretches near 2920 and 2853 cm-1, which together are consistent with an aliphatic ester or ester-bearing component. The library match is weak, all reported similarities are effectively zero, and no direct or related literature evidence independently narrows the result

Detailed interpretation

  • Top library match: methyl prop-2-ynoate #57605
  • The reference library comparison is not discriminating: the top candidates are chemically inconsistent with one another and all have similarity reported as 0.000.
  • The Top-15 pattern includes halogenated, hydrocarbon, sulfur-containing, aromatic, and ester candidates, S-O it does not provide a coherent narrow material class beyond a very broad organic direction.
  • The sample peaks do not provide clear supporting evidence for the specific alkyne feature required by methyl prop-2-ynoate.
  • The present peak list is short and may omit weaker but important distinguishing bands.
  • Without confirmed evidence for an alkyne, halogen, aromatic ring, nitrogen functionality, or other defining groups, multiple ester-containing organics remain plausible.
  • The current evidence supports functional-group level interpretation better than exact molecular identification.

Recommended next steps: Reacquire the FTIR spectrum over the full range with good signal-to-noise and inspect the fingerprint region in more detail, especially 1000-1500 cm-1. Check specifically for alkyne-related absorption near 2100-2200 cm-1 and any terminal alkyne C-H near ~3300 cm-1 if methyl prop-2-ynoate is being considered. Compare against authenticated spectra of simple aliphatic esters rather than relying on the current weak top hit alone. If available, use GC-MS or LC-MS to determine whether the sample is a single low-molecular-weight ester or a component within a mixture.

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 · 1236 1.00 - - -
2 · 1737 0.38 - - -
3 · 2920 0.27 - - -
4 · 2853 0.16 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250523103046505648076 2025-05-23 12:37:10
Discussion

Comments and follow-up evidence

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