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HALAMAN KEPUTUSAN

ester-containing organic material, possibly with an aromatic component

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No. Keputusan: 20250617111632869417860 Pemilik: publicuser Komen: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250617111632869417860 Date: 2025-06-17 09:18:08 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

ester-containing organic material, possibly with an aromatic component

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Conclusion
  1. 1711 cm⁻¹ supports a carbonyl-containing material.
  2. 1268, 1247, 1100, and 1017 cm⁻¹ support ester-like C–O stretching.
  3. 2918 and 2850 cm⁻¹ support aliphatic C–H groups.
Evidence & interpretation
Evidence

Key evidence

Padanan utama perpustakaan
diethyl benzene-1,4-dicarboxylate #467
Limitations

Evidence that limits the conclusion

  • The reference library comparison is not discriminating: all reported candidate similarities are 0.000, S-O the named top hit is not strongly supported as a unique match.
  • The candidate list contains chemically diverse structures, including sulfur-containing, halogenated, ketone, alcohol, and polymer entries, which limits confidence in any single narrow assignment.
  • The present peak list supports an ester-containing material, but it does not securely distinguish between an aliphatic ester, an aromatic ester, or a mixture containing ester functionality.
  • Possible aromatic participation is suggested by the lower-frequency fingerprint features and by the general library pattern, but this remains an inference rather than a direct confirmation.
  • A firm assignment to diethyl benzene-1,4-dicarboxylate is not justified from the current evidence packet alone.
Recommendation

Suggested next verification

  • Verify whether aromatic ring stretching bands are present in the original spectrum near about 1600-1500 cm⁻¹; clear aromatic bands would strengthen an aromatic ester direction.
  • Inspect the full spectrum for additional ester-characteristic intensity relationships, especially the relative strength and shape of the 1268-1017 cm⁻¹ C–O region.
  • Check for any broad O–H or N–H absorption above 3000 cm⁻¹ in the raw spectrum; their absence would better support a simple ester assignment.
  • If sample amount permits, confirm composition with GC-MS or LC-MS to determine whether the material is a discrete ester such as the library candidate or a more complex mixture.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 725 1.00 - - - -
2 · 1100 0.74 - - - -
3 · 1711 0.66 - - - -
4 · 1268 0.61 - - - -
5 · 1017 0.57 - - - -
6 · 1247 0.54 - - - -
7 · 666 0.31 - - - -
8 · 934 0.31 - - - -
9 · 873 0.28 - - - -
10 · 1396 0.20 - - - -
11 · 2918 0.16 - - - -
12 · 1446 0.15 - - - -
13 · 1344 0.15 - - - -
14 · 2850 0.14 - - - -
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Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

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

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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