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1,1,1-Trifluoro-2-(4-(trifluoromethyl)phenyl)propan-2-ol
SpectraBase Compound ID ITIMivkn7Og
InChI InChI=1S/C10H8F6O/c1-8(17,10(14,15)16)6-2-4-7(5-3-6)9(11,12)13/h2-5,17H,1H3
InChIKey OTEQFVBAVKVQMA-UHFFFAOYSA-N
Mol Weight 258.16 g/mol
Molecular Formula C10H8F6O
Exact Mass 258.047934 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7K3ACgj4SXM
Name 1,1,1-Trifluoro-2-(4-(trifluoromethyl)phenyl)propan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.047933855 u
Formula C10H8F6O
InChI InChI=1S/C10H8F6O/c1-8(17,10(14,15)16)6-2-4-7(5-3-6)9(11,12)13/h2-5,17H,1H3
InChIKey OTEQFVBAVKVQMA-UHFFFAOYSA-N
Molecular Weight 258.163 g/mol
SMILES C=1C=C(C(C(F)(F)F)(O)C)C=CC1C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932337
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