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aromatic carbonyl-containing organic material, possibly an ester, ketone, or imide-like compound

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結果編號: 20250613101541207392280 擁有者: publicuser 評論: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250613101541207392280 Date: 2025-06-13 12:24:36 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Choose matching result groups:
Library spectrum will appear here.
Library spectrum Interactive sample curve Move the pointer to show the vertical guide line.
Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

aromatic carbonyl-containing organic material, possibly an ester, ketone, or imide-like compound

General assessment
-
#130 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. A strong band at 1713 cm-1 supports the presence of a carbonyl group.
  2. Bands at 1241, 1087, and 1011 cm-1 support fingerprint-region heteroatom-associated stretching consistent with functionalities such as C-O or C-N.
  3. Bands at 715 and 868 cm-1 support an aromatic substitution pattern rather than a purely aliphatic material.
Main limitation

The top library candidate has a similarity of 0.000, so the retrieval does not provide meaningful direct support for that exact material identity.

Evidence & interpretation
Evidence

Key evidence

資料庫主要匹配
5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione #130 | match 0.0%
材料方向
aromatic carbonyl-containing organic material, possibly an ester, ketone, or imide-like compound The ordinary FTIR evidence does not support a firm compound-level assignment for this sample. The nearest library entry is 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione, but the library match confidence is effectively absent, and no direct reference or related-literature evidence independently supports that exact structure. The observed bands are more safely interpreted as indicating an aromatic organic material with a strong carbonyl absorption and multiple fingerprint-region C-O/C-N-type bands, consistent with a carbonyl-containing aromatic compound such as an ester-, ketone-, or imide-like material.
Support

Evidence supporting the conclusion

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

  1. The ordinary FTIR evidence does not support a firm compound-level assignment for this sample. The nearest library entry is 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione, but the library match confidence is effectively absent, and no direct reference or related-literature evidence independently supports that exact structure. The observed bands are more safely interpreted as indicating an aromatic organic material with a strong carbonyl absorption and multiple fingerprint-region C-O/C-N-type bands, consistent with a carbonyl-containing aromatic compound such as an ester-, ketone-, or imide-like material.
  2. A strong band at 1713 cm-1 supports the presence of a carbonyl group.
  3. Bands at 1241, 1087, and 1011 cm-1 support fingerprint-region heteroatom-associated stretching consistent with functionalities such as C-O or C-N.
  4. Bands at 715 and 868 cm-1 support an aromatic substitution pattern rather than a purely aliphatic material.
  5. Several leading library candidates share aromatic and/or carbonyl-containing chemistry, which is consistent with the observed peak set at a broad class level.
  6. The measured bands at 1713 cm-1 and 1241 cm-1 are consistent with a strong carbonyl-containing organic compound that also has fingerprint-region single-bond stretching from heteroatom-bearing functionality.
  7. Bands at 715 and 868 cm-1 are compatible with aromatic C-H out-of-plane bending, which supports the presence of an aromatic ring or substituted phenyl group.
  8. Additional bands at 1011 and 1087 cm-1 fit a fingerprint pattern often seen in C-O and/or C-N containing organic materials, but these peaks are not specific enough to isolate one compound class on their own.
  9. The Top-15 library pattern contains many aromatic and carbonyl-containing candidates, so the broader chemical direction of an aromatic carbonyl-bearing organic material is more defensible than any single named substance.
Limitations

Evidence that limits the conclusion

  • The top library candidate has a similarity of 0.000, so the retrieval does not provide meaningful direct support for that exact material identity.
  • No related-literature evidence was recovered to narrow the result to a specific aromatic carbonyl subclass.
  • The observed peak list is short and does not show enough characteristic bands to distinguish confidently among ester, ketone, amide/imide, or other aromatic carbonyl-containing structures.
  • The current evidence does not establish whether the carbonyl belongs specifically to an ester, ketone, amide, imide, or mixed functionality.
  • The aromatic substitution pattern is only partially constrained by the available low-wavenumber bands.
  • Because all reported library similarities are effectively zero, the named library hit should be treated only as a retrieval placeholder rather than a confirmed identification.
Recommendation

Suggested next verification

  • Acquire a higher-quality FTIR spectrum over the full range with band intensities and baseline correction, paying particular attention to the 1800-1500 cm-1 region to better separate ester-, ketone-, amide-, and imide-like carbonyl patterns.
  • Check for additional characteristic bands that could confirm or exclude imide-like functionality, especially the presence or absence of multiple carbonyl absorptions and clearer C-N-associated bands.
  • If available, run complementary Raman or NMR measurements to determine whether the sample is primarily an aromatic ester/ketone or a nitrogen-containing cyclic carbonyl compound.
  • Compare the sample against targeted reference spectra for aromatic esters, aromatic ketones, and imide-containing aromatic compounds rather than relying on the present low-confidence broad library search.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 715 1.00 - - - -
2 · 1241 0.43 - - - -
3 · 1713 0.41 - - - -
4 · 1087 0.33 - - - -
5 · 1011 0.18 - - - -
6 · 868 0.12 - - - -
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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  • 13 六月 '25

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