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fluorinated material with strong bands in the C–F stretching region

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结果编号: 20241213143128632293384 所有者: publicuser 评论: 2
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20241213143128632293384 Date: 2024-12-13 12:24:02 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

fluorinated material with strong bands in the C–F stretching region

General assessment
-
#63873 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Bands at 1214 and 1155 cm⁻¹ support a fluorinated organic material because this region commonly contains characteristic strong C–F stretching absorptions.
  2. Multiple leading library candidates contain fluorine, including 2,2,3,3,3-pentafluoropropan-1-ol, a fluoropolymer resin entry, 1,1,1,3,3,3-hexafluoropropane-2,2-diamine, 2-(2-fluorophenyl)ethanol, and bromo-trifluoromethane.
  3. The nearest library-owned name is 2,2,3,3,3-pentafluoropropan-1-ol, which is at least chemically compatible with strong absorptions in the fluorinated stretching region.
Main limitation

The library confidence is low, with all listed similarities reported as 0.000, so the top hit cannot be treated as a reliable identification.

Evidence & interpretation
Evidence

Key evidence

库主匹配
2,2,3,3,3-pentafluoropropan-1-ol #63873 | match 0.0%
材料方向
fluorinated material with strong bands in the C–F stretching region The current FTIR evidence does not support a firm compound-level identification. The sample shows only two reported bands, at 1214 and 1155 cm⁻¹, which are consistent with strong absorptions commonly found in fluorinated materials in the C–F stretching region. Although the nearest library hit is 2,2,3,3,3-pentafluoropropan-1-ol, the retrieval confidence is effectively absent and no direct or related literature evidence independently supports that specific substance. A broader assignment to a fluorinated material is therefore the most chemically supportable conclusion from the available spectrum.
Support

Evidence supporting the conclusion

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

  1. Bands at 1214 and 1155 cm⁻¹ support a fluorinated organic material because this region commonly contains characteristic strong C–F stretching absorptions.
  2. Multiple leading library candidates contain fluorine, including 2,2,3,3,3-pentafluoropropan-1-ol, a fluoropolymer resin entry, 1,1,1,3,3,3-hexafluoropropane-2,2-diamine, 2-(2-fluorophenyl)ethanol, and bromo-trifluoromethane.
  3. The nearest library-owned name is 2,2,3,3,3-pentafluoropropan-1-ol, which is at least chemically compatible with strong absorptions in the fluorinated stretching region.
  4. The observed spectrum is limited to bands at 1214 and 1155 cm⁻¹.
  5. These absorptions fall in a region commonly associated with strong C–F stretching features in fluorinated organic materials.
  6. The top library result is 2,2,3,3,3-pentafluoropropan-1-ol, but all reported library similarities are 0.000, so the match is not strong enough for a specific identification.
  7. The Top-15 library pattern includes several fluorinated and halogenated candidates, which supports a broad halogen-containing interpretation, with fluorinated chemistry being the most consistent subset given the peak positions and the presence of fluorinated candidates.
  8. The library consensus text also mentions other functionalities, but the sample lacks additional reported bands needed to support a narrower assignment involving O–H, N–H, S=O, or aromatic structure.
Limitations

Evidence that limits the conclusion

  • The library confidence is low, with all listed similarities reported as 0.000, so the top hit cannot be treated as a reliable identification.
  • The available peak list does not show additional characteristic bands that would be expected to support a narrow assignment such as an O–H stretch for an alcohol, N–H bands for an amine, or ring-associated bands for an aromatic compound.
  • The present spectrum is too sparse to distinguish among small fluorinated molecules, fluorinated aromatics, or fluorinated polymeric materials.
  • Because only two mid-IR bands are reported, it remains uncertain whether the sample contains additional unreported features outside this narrow region.
  • The specific top-hit name, 2,2,3,3,3-pentafluoropropan-1-ol, remains only a weak library suggestion rather than a supported identification.
Recommendation

Suggested next verification

  • Acquire the full FTIR spectrum over the standard mid-IR range and check specifically for broad O–H stretching near 3200–3600 cm⁻¹ if a fluorinated alcohol is being considered.
  • Inspect the lower-wavenumber region for additional characteristic C–F patterning that can help separate small fluorinated organics from fluoropolymer-type materials.
  • If enough sample is available, compare against an authentic spectrum of 2,2,3,3,3-pentafluoropropan-1-ol and against representative fluoropolymer references.
  • Use a complementary method such as 19F NMR, GC-MS for volatile small molecules, or XPS/EDS for fluorine confirmation, depending on whether the sample is liquid, volatile, or solid.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1214 1.00 - - - -
2 · 1155 0.59 - - - -
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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  • 13 十二月 '24

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