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RESULTATSIDE

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

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Resultatnr.: 20241010202731212710091 Eier: anna77 Kommentarer: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20241010202731212710091 Date: 2024-10-10 12:28:28 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

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

General assessment
-
#2024 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Observed 1737 cm-1 carbonyl plus 1237 cm-1 C-O region support an ester-like functionality.
  2. Observed 2916, 2849, 1467, and 1370 cm-1 bands support a predominantly aliphatic hydrocarbon framework with methyl/methylene groups.
  3. Observed 719 cm-1 band supports long-chain hydrocarbon character, which fits an aliphatic ester-like material.
Main limitation

The library match to 24937-78-8 has zero reported similarity and therefore does not provide credible support for a specific compound-level assignment.

Evidence & interpretation
Evidence

Key evidence

Bibliotekets ledende treff
24937-78-8 #2024 | match 0.0%
Materialretning
aliphatic ester-like organic material with methyl and long-chain hydrocarbon character 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.
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. Observed 1737 cm-1 carbonyl plus 1237 cm-1 C-O region support an ester-like functionality.
  2. Observed 2916, 2849, 1467, and 1370 cm-1 bands support a predominantly aliphatic hydrocarbon framework with methyl/methylene groups.
  3. Observed 719 cm-1 band supports long-chain hydrocarbon character, which fits an aliphatic ester-like material.
  4. Library consensus mentions methyl-related character, which is consistent with the measured alkyl bands.
  5. A strong band at 1737 cm-1 supports the presence of a carbonyl group, most plausibly an ester-type carbonyl in this aliphatic context.
  6. Bands at 2916 and 2849 cm-1 indicate aliphatic C-H stretching from methylene and/or methyl groups.
  7. The 1467 and 1370 cm-1 bands are consistent with CH2/CH3 bending, supporting alkyl character.
  8. The 1237 cm-1 band is compatible with C-O stretching commonly observed in ester-containing materials.
  9. The 719 cm-1 band is consistent with long-chain methylene rocking or ordered hydrocarbon chain character.
  10. The Top-15 library pattern broadly points to methyl-containing organic candidates, but the retrieval itself provides no meaningful similarity separation and should not be treated as a firm match.
Limitations

Evidence that limits the conclusion

  • 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, so 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.
Recommendation

Suggested next verification

  • 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.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
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

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction was cancelled by the user.

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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