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REZULTATŲ PUSLAPIS

long-chain aliphatic hydrocarbon-like material

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Rezultato Nr.: 20250701104913335186143 Savininkas: publicuser Komentarai: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250701104913335186143 Date: 2025-07-02 00:25:08 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

long-chain aliphatic hydrocarbon-like material

General assessment
-
#81 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. 2915 and 2847 cm⁻1 support saturated aliphatic C-H stretching.
  2. 1462 cm⁻1 supports methylene bending in an alkyl-rich material.
  3. 719 and 729 cm⁻1 support long-chain -(CH2)n- rocking modes.
Main limitation

The leading library match has zero effective similarity confidence, so it cannot by itself support identification as 4-Tetradecylaniline.

Evidence & interpretation
Evidence

Key evidence

Bibliotekos pagrindinis atitikmuo
4-Tetradecylaniline #81 | match 0.0%
Medžiagos kryptis
long-chain aliphatic hydrocarbon-like material The FTIR evidence supports a broad assignment to a long-chain aliphatic hydrocarbon-like material rather than a specific named compound. The observed bands at 2915 and 2847 cm⁻1 are characteristic of aliphatic C-H stretching, 1462 cm⁻1 is consistent with methylene deformation, and the paired low-frequency bands at 729 and 719 cm⁻1 are typical of rocking modes from extended -(CH2)n- chains. Although the nearest library hit is 4-Tetradecylaniline, the retrieval confidence is effectively absent and there is no direct or related literature evidence confirming an aromatic amine or any other specific functionalized structure. A chemically honest conclusion is therefore a broad long-chain alkyl material direction.
Support

Evidence supporting the conclusion

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

  1. 2915 and 2847 cm⁻1 support saturated aliphatic C-H stretching.
  2. 1462 cm⁻1 supports methylene bending in an alkyl-rich material.
  3. 719 and 729 cm⁻1 support long-chain -(CH2)n- rocking modes.
  4. Several leading library candidates contain extended hydrocarbon chains, aligning with the sample's alkyl-dominant peak pattern.
  5. The spectrum is dominated by bands expected for saturated aliphatic chains: 2915 and 2847 cm⁻1, 1462 cm⁻1, and 729/719 cm⁻1.
  6. The 729 and 719 cm⁻1 pair is especially consistent with ordered or relatively long methylene sequences in a long-chain hydrocarbon-like material.
  7. The Top-15 library pattern includes several compounds containing long alkyl chains, which is consistent with the observed methylene-rich spectral character.
  8. No supporting bands are provided for aromatic ring vibrations, N-H stretching, carbonyl groups, or other distinguishing functionalities needed to defend a narrower molecular assignment.
Limitations

Evidence that limits the conclusion

  • The leading library match has zero effective similarity confidence, so it cannot by itself support identification as 4-Tetradecylaniline.
  • The current peak set does not show characteristic, identifying evidence for an aniline-type aromatic amine, such as clear N-H stretching or ring-associated bands.
  • The spectrum provided is sparse and mainly reflects generic alkyl-chain features that are shared by many hydrocarbons and alkyl-substituted compounds.
  • Because no distinguishing heteroatom or aromatic bands are confirmed, the sample could represent a hydrocarbon, a halogenated long-chain compound, or another alkyl-rich material with weak or unreported minor features.
  • A specific entity-level assignment is not supported by the present evidence.
Recommendation

Suggested next verification

  • Acquire a full-range FTIR spectrum with baseline-corrected intensities to check for weak bands from aromatic C=C, N-H, C-N, C-Br, or carbonyl functionalities.
  • Inspect the 3000-3100 cm⁻1 and 1600-1500 cm⁻1 regions specifically for aromatic or amine-related bands if 4-Tetradecylaniline remains of interest.
  • Compare the sample against authentic long-chain hydrocarbon, alkyl bromide, and alkyl amine/aniline reference spectra under the same measurement conditions.
  • Use a complementary method such as GC-MS or NMR to determine whether the material is a simple hydrocarbon chain or a functionalized long-chain organic compound.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 2915 1.00 - - - -
2 · 2847 0.88 - - - -
3 · 719 0.35 - - - -
4 · 1462 0.30 - - - -
5 · 729 0.24 - - - -
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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