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organic material containing aliphatic C-H, a carbonyl group, and probable N-H and/or C-O functionality

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Номер на резултат: 20241017095804679336166 Собственик: publicuser Коментари: 0
  • Translating report into български. English is shown for now.
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20241017095804679336166 Date: 2024-10-17 07:00:26 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

organic material containing aliphatic C-H, a carbonyl group, and probable N-H and/or C-O functionality

General assessment
-
#66815 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Observed 2953, 2921, and 2852 cm-1 bands support aliphatic C-H stretching.
  2. Observed 1731 cm-1 supports the presence of a carbonyl-containing functionality.
  3. Observed 3341 cm-1 supports an N-H and/or hydrogen-bonded O-H contribution.
Main limitation

The reported nearest library match is low-confidence and all listed candidate similarities are 0.000, so the named top candidate is not a reliable identification.

Evidence & interpretation
Evidence

Key evidence

Съвпадение по библиотечен водещ
4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;tetrafluoroborate #66815 | match 0.0%
Посока на материала
organic material containing aliphatic C-H, a carbonyl group, and probable N-H and/or C-O functionality The FTIR pattern supports a broad assignment to an organic material with clear aliphatic hydrocarbon content, a strong carbonyl-containing component, and an additional polar functionality consistent with N-H and/or C-O bonding. The library top hit is not chemically secure here because all reported library similarities are 0.000 and no direct or related literature evidence narrows the identity. The observed bands are more consistent with a mixed or broadly functionalized organic material than with the specific named library compound.
Support

Evidence supporting the conclusion

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

  1. Observed 2953, 2921, and 2852 cm-1 bands support aliphatic C-H stretching.
  2. Observed 1731 cm-1 supports the presence of a carbonyl-containing functionality.
  3. Observed 3341 cm-1 supports an N-H and/or hydrogen-bonded O-H contribution.
  4. Observed 1233 and 1031 cm-1 support a polar single-bond functionality such as C-O, with possible C-N overlap.
  5. Observed 1459 and 1376 cm-1 are consistent with methyl or methylene deformation bands.
  6. A broad band at 3341 cm-1 is consistent with N-H and possibly hydrogen-bonded O-H stretching.
  7. Bands at 2953, 2921, and 2852 cm-1 show ordinary aliphatic C-H stretching, indicating methyl and/or methylene groups.
  8. The strong absorption at 1731 cm-1 supports a carbonyl group such as an ester, ketone, aldehyde, or related functionality.
  9. A band at 1593 cm-1 may reflect an aromatic ring vibration, conjugation, or an amide-like/imine-adjacent region, but it is not specific on its own.
  10. Bands at 1233 and 1031 cm-1 are compatible with C-O stretching and can also overlap with C-N or other fingerprint-region vibrations.
  11. The 1459 and 1376 cm-1 bands are consistent with alkyl C-H bending, supporting methyl-containing organic content.
  12. The top-15 library pattern is highly inconsistent overall and does not show a coherent, well-matched single chemistry; this limits confidence in any narrow material assignment.
Limitations

Evidence that limits the conclusion

  • The reported nearest library match is low-confidence and all listed candidate similarities are 0.000, so the named top candidate is not a reliable identification.
  • The specific top library compound is a highly specialized aromatic ionic dye-like structure, but the sample evidence does not provide distinctive confirming bands for that exact material.
  • Top-15 candidates span chemically incompatible classes, so the common library pattern is weak and not suitable for a narrow entity conclusion.
  • The 3341 cm-1 band cannot be cleanly separated between N-H and O-H from the present evidence alone.
  • The 1731 cm-1 carbonyl band is not sufficient by itself to distinguish ester from ketone, aldehyde, acid, or other carbonyl subclasses.
  • The fingerprint-region bands at 1233 and 1031 cm-1 support polar functionality but do not uniquely specify the exact functional group.
  • A single-component versus mixture interpretation remains open from the current spectrum and evidence packet.
Recommendation

Suggested next verification

  • Verify whether the 3341 cm-1 feature is N-H or O-H by checking band shape and by collecting a higher-quality spectrum with good baseline correction.
  • Inspect the 1800-1500 cm-1 region for secondary carbonyl-related or amide-related bands to distinguish ester, ketone, acid, or amide character.
  • Acquire complementary Raman or GC-MS/LC-MS data if the sample is molecular and extractable, since the current FTIR evidence is too weak for compound-level identification.
  • If this is a formulated or unknown residue sample, compare against reference spectra of carbonyl-containing organic materials such as ester-containing organics, amide-containing organics, or mixed hydrocarbon/polar additives.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 2921 1.00 - - - -
2 · 2852 0.67 - - - -
3 · 1031 0.64 - - - -
4 · 1459 0.50 - - - -
5 · 2953 0.49 - - - -
6 · 722 0.38 - - - -
7 · 1376 0.37 - - - -
8 · 1233 0.28 - - - -
9 · 1593 0.14 - - - -
10 · 3341 0.13 - - - -
11 · 1731 0.11 - - - -
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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