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substituted aromatic organic material with alkyl C-H bands and possible weak oxygenated functionality

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Nəticə №: 20250628162522558424922 Sahib: publicuser Şərhlər: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250628162522558424922 Date: 2025-06-28 08:26:49 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
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

substituted aromatic organic material with alkyl C-H bands and possible weak oxygenated functionality

General assessment
-
#297 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The sample contains aromatic-region and alkyl C-H features, supporting a substituted aromatic organic material.
  2. The fingerprint region includes a 1316 cm-1 band, which is at least compatible with oxygenated substitution in an aromatic framework.
  3. Several leading library candidates are substituted aromatic molecules, so the broad aromatic direction is consistent with the retrieval pattern.
Main limitation

The library match quality is effectively absent: the reported top candidate and other leading candidates all carry 0.000 similarity, so the named library compound is not directly supported.

Evidence & interpretation
Evidence

Key evidence

Kitabxana uyğunluğu
4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-5-methyl-2-propan-2-ylphenol #297 | match 0.0%
Material istiqaməti
substituted aromatic organic material with alkyl C-H bands and possible weak oxygenated functionality The FTIR evidence does not support a firm assignment to the library top hit as a specific compound. The observed spectrum is limited and low-confidence, but it is broadly consistent with a substituted aromatic organic material showing alkyl C-H stretching and weak fingerprint-region bands that could reflect oxygen-containing substitution. Because the reference library comparison has zero similarity across the listed candidates and no direct or related literature support is available, the most chemically supportable conclusion is a broad aromatic organic direction rather than a specific entity claim.
Support

Evidence supporting the conclusion

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

  1. The sample contains aromatic-region and alkyl C-H features, supporting a substituted aromatic organic material.
  2. The fingerprint region includes a 1316 cm-1 band, which is at least compatible with oxygenated substitution in an aromatic framework.
  3. Several leading library candidates are substituted aromatic molecules, so the broad aromatic direction is consistent with the retrieval pattern.
  4. Observed bands at 2849 and 2914 cm-1 support aliphatic C-H stretching from alkyl substituents or hydrocarbon fragments.
  5. Bands near 1585, 1468, 1442, and 1415 cm-1 are compatible with an aromatic ring plus alkyl C-H bending in a substituted aromatic material.
  6. Lower-frequency bands at 717 and 677 cm-1 are consistent with aromatic C-H out-of-plane deformation in a substituted benzene-type structure.
  7. A band at 1316 cm-1 may indicate C-O, phenolic, sulfone-related, or other fingerprint-region functionality, but this cannot be assigned uniquely from the present evidence alone.
  8. The very high-wavenumber feature at 3749 cm-1 could reflect a free O-H group or trace surface/moisture contribution, but without corroborating O-H band shape this remains tentative.
  9. Features from about 1979 to 2207 cm-1 are weak and atypical for a clean simple organic assignment; they may reflect overtone/combination structure, atmospheric contribution, or measurement artifacts rather than a defining functional group.
  10. The top-15 library list loosely clusters around substituted aromatic compounds, several of them oxygenated, but the pattern is chemically heterogeneous and does not justify a narrow material name.
Limitations

Evidence that limits the conclusion

  • The library match quality is effectively absent: the reported top candidate and other leading candidates all carry 0.000 similarity, so the named library compound is not directly supported.
  • The spectrum lacks clear, characteristic confirming bands needed to defend the specific top-hit structure, including stronger evidence for its particular phenolic and sulfone-substituted framework.
  • The 1979-2207 cm-1 region contains unusual features that are not sufficient to support a specific molecular assignment and reduce confidence in narrow interpretation.
  • The present data support only a broad substituted aromatic organic direction.
  • Possible oxygen-containing functionality is suggested but not established confidently.
  • The exact substitution pattern, presence or absence of phenolic O-H, and any sulfur-containing group remain unconfirmed.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with improved background subtraction and atmospheric compensation, especially to evaluate the 1979-2207 and 2321 cm-1 regions.
  • Inspect the 3200-3600 cm-1 region at higher quality to determine whether a genuine O-H stretching envelope is present rather than an isolated trace feature at 3749 cm-1.
  • Obtain complementary Raman or GC-MS/LC-MS data if a discrete organic compound is suspected, since the current FTIR evidence is insufficient for a specific identity.
  • If this is a solid organic additive, dye, or resin component, compare against authenticated substituted aromatic reference spectra emphasizing the 1600-1300 and 900-650 cm-1 regions.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1585 1.00 - - - -
2 · 2914 0.87 - - - -
3 · 2849 0.51 - - - -
4 · 1442 0.30 - - - -
5 · 1468 0.28 - - - -
6 · 717 0.24 - - - -
7 · 1415 0.24 - - - -
8 · 2166 0.18 - - - -
9 · 2048 0.14 - - - -
10 · 1979 0.13 - - - -
11 · 3749 0.12 - - - -
12 · 2079 0.12 - - - -
13 · 2207 0.11 - - - -
14 · 2321 0.11 - - - -
15 · 2116 0.11 - - - -
16 · 1316 0.11 - - - -
17 · 677 0.10 - - - -
18 · 2017 0.10 - - - -
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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