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oxygenated organic material consistent with an alcohol-rich aliphatic sample, possibly with ether-like C-O bonding

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Sonuç No.: 20250623145049300776599 Sahip: Mainge Yorumlar: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250623145049300776599 Date: 2025-06-23 06:54:07 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

oxygenated organic material consistent with an alcohol-rich aliphatic sample, possibly with ether-like C-O bonding

General assessment
-
#288 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Broad absorption at 3346 cm-1 supports hydroxyl functionality.
  2. Strong absorptions at 1087 and 1045 cm-1 support C-O stretching, consistent with alcohol and/or ether-type bonding.
  3. Aliphatic C-H stretching bands at 2974 and 2893 cm-1 support an organic aliphatic backbone.
Main limitation

The reference library comparison confidence is low, with all listed candidates at effectively zero similarity, so the top hit cannot be treated as a reliable structural identification.

Evidence & interpretation
Evidence

Key evidence

Kütüphane lider eşleşmesi
2-phenylbutan-1-ol #288 | match 0.0%
Malzeme yönü
oxygenated organic material consistent with an alcohol-rich aliphatic sample, possibly with ether-like C-O bonding The FTIR evidence does not support a firm identification of this sample as 2-phenylbutan-1-ol, because the library match is low-confidence and no direct or related literature evidence independently confirms that structure. The observed spectrum is more safely described as an oxygenated organic material showing a broad O-H band near 3346 cm-1, aliphatic C-H stretching near 2974 and 2893 cm-1, and strong C-O-region absorptions at 1087 and 1045 cm-1, which is consistent with an alcohol-rich aliphatic composition and possibly ether-like C-O bonding. A weak or ambiguous band near 1652 cm-1 is not enough on its own to justify a narrower structural assignment.
Support

Evidence supporting the conclusion

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

  1. Broad absorption at 3346 cm-1 supports hydroxyl functionality.
  2. Strong absorptions at 1087 and 1045 cm-1 support C-O stretching, consistent with alcohol and/or ether-type bonding.
  3. Aliphatic C-H stretching bands at 2974 and 2893 cm-1 support an organic aliphatic backbone.
  4. The Top-15 library pattern contains several oxygenated compounds, which aligns with the sample's O-H and C-O features.
  5. The most prominent supported chemistry is O-H stretching at 3346 cm-1 together with C-O-region bands at 1087 and 1045 cm-1, indicating an oxygen-containing organic material.
  6. Bands at 2974 and 2893 cm-1 support aliphatic C-H stretching rather than a highly unsaturated or strongly aromatic-dominated material.
  7. The top library candidates share a loose pattern of oxygenated small molecules, especially alcohol- or polyol-like compounds, which is broadly consistent with the observed O-H and C-O features.
  8. The band at 1382 cm-1 is compatible with aliphatic C-H bending.
  9. The remaining peaks at 878 and 1652 cm-1 are not sufficiently specific here to justify assignment to the named top library compound.
Limitations

Evidence that limits the conclusion

  • The reference library comparison confidence is low, with all listed candidates at effectively zero similarity, so the top hit cannot be treated as a reliable structural identification.
  • The observed peak set does not provide clear characteristic evidence for a phenyl-containing alcohol specifically.
  • The 1652 cm-1 feature is insufficiently defined to support a more specific unsaturation- or aromatic-associated assignment.
  • It remains uncertain whether the sample is a simple aliphatic alcohol, a polyol, or an alcohol-containing material with additional ether functionality.
  • The presence or absence of an aromatic ring cannot be established confidently from the current peak list alone.
  • The significance of the 878 cm-1 and 1652 cm-1 bands remains unclear without fuller spectral context and band intensities.
Recommendation

Suggested next verification

  • Acquire the full FTIR spectrum with band shapes and relative intensities, especially in the 3200-3600, 1200-900, and 900-650 cm-1 regions, to distinguish alcohol from polyol or ether-containing materials more confidently.
  • Check specifically for aromatic-ring bands near 1600-1450 cm-1 and out-of-plane C-H bands in the 900-700 cm-1 region if 2-phenylbutan-1-ol is being considered.
  • If available, run GC-MS or LC-MS to determine whether the sample is a discrete small molecule rather than a mixed oxygenated material.
  • Repeat FTIR after drying the sample thoroughly, since moisture can broaden the O-H region and complicate interpretation of alcohol-rich materials.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1045 1.00 - - - -
2 · 878 0.45 - - - -
3 · 1087 0.42 - - - -
4 · 3346 0.37 - - - -
5 · 2974 0.29 - - - -
6 · 1382 0.18 - - - -
7 · 2893 0.16 - - - -
8 · 1652 0.12 - - - -
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
Tartışma

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