RESULT PAGE

fluorinated organic material with N-H/O-H and possible alkyl-substituted functionality

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Result No.: 20250819143627778583081 Owner: publicuser Comments: 1
FTIR Analysis Report

fluorinated organic material with N-H/O-H and possible alkyl-substituted functionality

Sample & Measurement Parameters

Report No. 20250819143627778583081
Date 2025-08-20 01:54:18
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The ordinary FTIR search does not support a firm compound-level assignment for this sample. The library Top-1 name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol, but all listed library similarities are effectively zero, so that specific identification is not reliable. A chemically safer reading is that the spectrum is broadly consistent with a fluorinated organic material showing strong C-F/C-O-region absorption together with high-wavenumber N-H or O-H stretching and bands in the 1600-1650 cm-1 region that may indicate unsaturation, amine-related deformation, or another heteroatom-containing functionality

Detailed interpretation

  • Top library match: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol #11819
  1. The ordinary FTIR search does not support a firm compound-level assignment for this sample. The library Top-1 name is 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol, but all listed library similarities are effectively zero, S-O that specific identification is not reliable. A chemically safer reading is that the spectrum is broadly consistent with a fluorinated organic material showing strong C-F/C-O-region absorption together with high-wavenumber N-H or O-H stretching and bands in the 1600-1650 cm-1 region that may indicate unsaturation, amine-related deformation, or another heteroatom-containing functionality.
  • The Top-1 library hit has zero similarity, S-O the specific compound name is not directly supported by the search quality.
  • Several leading library candidates are chemically inconsistent with one another, spanning fluorinated alcohols, anilines, perfluorinated cycloalkanes, perfluoropolyethers, and oils.
  • A purely perfluorinated hydrocarbon assignment is limited by the observed N-H/O-H region bands at 3192-3452 cm-1.
  • It remains unclear whether the high-wavenumber absorption is due primarily to O-H, N-H, or a mixture of both.
  • The 1620-1653 cm-1 region is not uniquely assigned from the current evidence and could reflect different heteroatom-containing motifs.
  • The current data do not distinguish confidently among a fluorinated alcohol, fluorinated amine-containing material, fluorinated ether-containing material, or a mixture.

Recommended next steps: Re-measure the FTIR spectrum with improved signal quality and baseline control, especially across 3600-2800 cm-1 and 1800-1400 cm-1, to clarify whether the sample contains O-H, N-H, or both. Check for characteristic C-H stretching in the 3000-2850 cm-1 region; its presence or absence will help separate highly fluorinated materials from more conventional alkyl-substituted organics. If available, obtain 19F NMR or XPS/elemental analysis to confirm the extent of fluorination and whether oxygen and/or nitrogen are truly present. Compare the sample specifically against reference spectra of fluorinated alcohols, fluorinated ethers or perfluoropolyethers, and fluorinated amine-containing compounds rather than relying on the current broad library hit list alone.

Library Comparison

Match group:
Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
Loading library candidates...

Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1260 1.00 - - -
2 · 1138 0.46 - - -
3 · 1384 0.40 - - -
4 · 770 0.36 - - -
5 · 1013 0.32 - - -
6 · 1620 0.31 - - -
7 · 1509 0.30 - - -
8 · 1653 0.25 - - -
9 · 3192 0.20 - - -
10 · 3202 0.20 - - -
11 · 3452 0.13 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250819143627778583081 2025-08-20 01:54:18
Discussion

Comments and follow-up evidence

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