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STRANICA REZULTATA

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

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Broj rezultata: 20241017095804679336166 Vlasnik: publicuser Komentari: 0
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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
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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

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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.
Evidence & interpretation
Evidence

Key evidence

Vodeće podudaranje iz knjižnice
4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;tetrafluoroborate #66815
Limitations

Evidence that limits the conclusion

  • The reported nearest library match is low-confidence and all listed candidate similarities are 0.000, S-O 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, S-O 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.

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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 - - - -
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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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