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(3R)-3,4-Dihydroxy-1-[1-(phenylsulfanyl)cyclohexyl]butan-1-one
SpectraBase Compound ID Kht9Jvdd2Sd
InChI InChI=1S/C16H22O3S/c17-12-13(18)11-15(19)16(9-5-2-6-10-16)20-14-7-3-1-4-8-14/h1,3-4,7-8,13,17-18H,2,5-6,9-12H2/t13-/m1/s1
InChIKey JUKSGHHRQJDFHB-CYBMUJFWSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQUbC8IuX17
Name (3R)-3,4-Dihydroxy-1-[1-(phenylsulfanyl)cyclohexyl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c17-12-13(18)11-15(19)16(9-5-2-6-10-16)20-14-7-3-1-4-8-14/h1,3-4,7-8,13,17-18H,2,5-6,9-12H2/t13-/m1/s1
InChIKey JUKSGHHRQJDFHB-CYBMUJFWSA-N
Molecular Weight 294.409 g/mol
SMILES O[C@@](CO)(CC(C1(Sc2ccccc2)CCCCC1)=O)[H]
SPLASH splash10-0006-3900000000-b0c6e3eded8a5a6f34ca
Source of Spectrum K-2002-2641-21
Synonyms (3R)-3,4-Dihydro-1-[1-(phenylsulfanyl)cyclohexyl]butan-1-one (3R)-3,4-dihydroxy-1-[1-(phenylsulfanyl)cyclohexyl]-1-butanone
Wiley ID 1613258