RESULT PAGE

aliphatic ester-like organic material with methyl and long-chain hydrocarbon character

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Result No.: 20241010202731212710091 Owner: anna77 Comments: 0
FTIR Analysis Report

aliphatic ester-like organic material with methyl and long-chain hydrocarbon character

Sample & Measurement Parameters

Report No. 20241010202731212710091
Date 2024-10-10 12:28:28
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline Disabled
Library match 0%

Identification Result

0%

The FTIR pattern is most consistent with an aliphatic ester-like organic material rather than a secure identification of the library hit 24937-78-8. The sample shows a strong carbonyl band at 1737 cm-1 together with aliphatic C-H stretching at 2916 and 2849 cm-1, CH bending at 1467 and 1370 cm-1, and a band near 1237 cm-1 that is compatible with C-O stretching in an ester. The 719 cm-1 band supports extended methylene chain or ordered long-chain hydrocarbon character. Although the library returned 24937-78-8 as the nearest match, the retrieval confidence is effectively zero and no direct or related literature evidence independently supports that specific assignment

Detailed interpretation

  • Top library match: 24937-78-8 #2024
  • The library match to 24937-78-8 has zero reported similarity and therefore does not provide credible support for a specific compound-level assignment.
  • The library consensus includes N-H as a direction clue, but the measured peak list does not show a reported N-H stretching band, S-O an N-H-containing narrow assignment is not supported.
  • The measured peak set does not provide enough distinguishing bands to justify the specific library material over other aliphatic ester-like substances.
  • The current evidence supports functional-group level interpretation more strongly than exact identity.
  • The carbonyl appears compatible with an ester, but the available peaks are insufficient to determine whether the sample is a simple ester, wax-like ester, plasticizer-related ester, or another aliphatic carbonyl-containing material.
  • Without stronger fingerprint-region matching or orthogonal data, the exact molecular structure and the relevance of the library CAS assignment remain uncertain.

Recommended next steps: Reacquire the FTIR spectrum with full fingerprint-region quality and report relative band intensities, especially from about 1800 to 650 cm-1. Check specifically for additional ester C-O bands in the 1300-1000 cm-1 region and for any broad O-H or distinct N-H stretching bands to confirm or exclude alternative functionalities. Compare the sample against reference spectra of long-chain aliphatic esters, wax esters, fatty acid esters, and common plasticizer-type esters. If exact identification is needed, confirm by GC-MS or LC-MS for molecular composition, or by NMR if the sample is sufficiently pure.

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 · 2916 1.00 - - -
2 · 1237 0.80 - - -
3 · 2849 0.80 - - -
4 · 1737 0.69 - - -
5 · 719 0.36 - - -
6 · 1467 0.34 - - -
7 · 1019 0.33 - - -
8 · 1370 0.24 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241010202731212710091 2024-10-10 12:28:28
Discussion

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