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1,1,1-trifluoro-3,3-dideutero-5,5-dimethyl-2-phenylhexan-2-ol
SpectraBase Compound ID 35ylmtGB4S6
InChI InChI=1S/C14H19F3O/c1-12(2,3)9-10-13(18,14(15,16)17)11-7-5-4-6-8-11/h4-8,18H,9-10H2,1-3H3/i10D2
InChIKey JHLFCWKZVBQEFQ-KBMKNGFXSA-N
Mol Weight 262.31 g/mol
Molecular Formula C14H17D2F3O
Exact Mass 262.151353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfiqHfAQXFO
Name 1,1,1-trifluoro-3,3-dideutero-5,5-dimethyl-2-phenylhexan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17D2F3O
InChI InChI=1S/C14H19F3O/c1-12(2,3)9-10-13(18,14(15,16)17)11-7-5-4-6-8-11/h4-8,18H,9-10H2,1-3H3/i10D2
InChIKey JHLFCWKZVBQEFQ-KBMKNGFXSA-N
Literature Reference DOI 10.1039/c4sc01732c
Molecular Weight 262.312 g/mol
SMILES OC(c1ccccc1)(C(CC(C)(C)C)([D])[D])C(F)(F)F
SPLASH splash10-054o-3900000000-77b8482ddb0d1b33cb96
Source of Spectrum CSS-5-3983/SMS20-3u'
Wiley ID 1755091