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(S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-ol
SpectraBase Compound ID Xl2W9xOMao
InChI InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m0/s1
InChIKey MCAYQVHHKRKRLD-QMMMGPOBSA-N
Mol Weight 206.16 g/mol
Molecular Formula C9H9F3O2
Exact Mass 206.055464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGyJ6fYkXtR
Name (S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-ol
Appearance Colourless oil
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.055464017 u
Formula C9H9F3O2
InChI InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m0/s1
InChIKey MCAYQVHHKRKRLD-QMMMGPOBSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202059
Molecular Weight 206.164 g/mol
Optical Rotation [a]D26 = +26 (c = 0.25, CHCl3)
Quality 186
SMILES O[C@](C(F)(F)F)(C1=CC=C(C=C1)OC)[H]
SPLASH splash10-0553-9800000000-aec98184e6ed4c1a57b6
Source of Spectrum QE-28-SM29-8a (DOI: 10.1002/chem.202202059)
Wiley ID 1900720