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nitrogen-containing organic material with alkyl C-H bands

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Result No.: 20250529140359499460685 Owner: publicuser Comments: 0
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250529140359499460685 Date: 2025-05-29 19:05:32 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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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

nitrogen-containing organic material with alkyl C-H bands

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Conclusion
  1. Bands at 2836, 2915, and 2949 cm-1 support the presence of aliphatic C-H groups.
  2. Bands at 1453 and 1375 cm-1 support alkyl C-H deformation modes.
  3. The measured bands at 2836, 2915, and 2949 cm-1 are consistent with alkyl C-H stretching, and the bands at 1453 and 1375 cm-1 are consistent with C-H bending from aliphatic groups
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
Pyridine-3-carboxylic acid #21981
Limitations

Evidence that limits the conclusion

  • The top library hit has zero reported similarity, S-O it cannot be treated as an identified material.
  • The leading candidate Pyridine-3-carboxylic acid would require stronger characteristic evidence for a heteroaromatic carboxylic-acid structure than is shown here.
  • The peak set includes features at 2148 and 2288-2303 cm-1 that are not sufficient on their own to support the top library candidates and may reflect atmospheric or non-specific contributions.
  • Very high-wavenumber features at 3739, 3849, and 3943 cm-1 do not provide secure support for the proposed specific library compounds in the absence of corroborating bands.
  • The spectrum is sparse and lacks strong compound-specific confirmation bands for a narrow assignment.
  • No direct literature match or closely related literature analogue was recovered for this sample.
  • Because the top-15 retrieval pattern is inconsistent and all similarities are effectively null, the presence and role of nitrogen remain suggestive rather than confirmed.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with atmospheric CO2 and water suppression or subtraction, since the 2148 and 2288-2303 cm-1 region may contain environmental interference.
  • Acquire a higher-quality spectrum over the full mid-IR range with improved signal-to-noise and verify whether characteristic bands for amine, amide, nitrile, carboxylic acid, or heteroaromatic functionality are actually present.
  • If nitrogen-containing organic content is suspected, confirm with complementary analysis such as Raman spectroscopy, elemental analysis, or GC-MS/LC-MS depending on whether the sample is volatile or extractable.
  • If the sample is a residue or mixture, perform repeat measurements on a cleaner preparation or separated fraction to determine whether the observed alkyl bands arise from a dominant organic component.
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 · 3943 1.00 - - - -
2 · 3849 0.97 - - - -
3 · 2915 0.95 - - - -
4 · 2949 0.93 - - - -
5 · 3739 0.91 - - - -
6 · 2836 0.82 - - - -
7 · 2288 0.48 - - - -
8 · 2296 0.48 - - - -
9 · 2303 0.48 - - - -
10 · 2148 0.44 - - - -
11 · 1375 0.38 - - - -
12 · 1453 0.35 - - - -
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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
Discussion

Comments and follow-up evidence

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