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4-(1-Chloro-2,2,2-trifluoro-ethyl)phenol
SpectraBase Compound ID 1BHxW2Aetsu
InChI InChI=1S/C8H6ClF3O/c9-7(8(10,11)12)5-1-3-6(13)4-2-5/h1-4,7,13H
InChIKey CAQVBOXIHHKNCZ-UHFFFAOYSA-N
Mol Weight 210.58 g/mol
Molecular Formula C8H6ClF3O
Exact Mass 210.005927 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3No43XNbmZI
Name 4-(1-Chloro-2,2,2-trifluoro-ethyl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.005927001 u
Formula C8H6ClF3O
InChI InChI=1S/C8H6ClF3O/c9-7(8(10,11)12)5-1-3-6(13)4-2-5/h1-4,7,13H
InChIKey CAQVBOXIHHKNCZ-UHFFFAOYSA-N
Molecular Weight 210.583 g/mol
SMILES C(C(C1=CC=C(C=C1)O)Cl)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937257
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