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(2R,3R)-2,3-Dimethyl-2-(phenylthiomethyl)cyclohexanone
SpectraBase Compound ID 2oIlH4qhT8h
InChI InChI=1S/C15H20OS/c1-12-7-6-10-14(16)15(12,2)11-17-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKey FCUMODBUBGXUAX-IUODEOHRSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dAtMquxznT
Name (2R,3R)-2,3-Dimethyl-2-(phenylthiomethyl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-12-7-6-10-14(16)15(12,2)11-17-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3/t12-,15-/m1/s1
InChIKey FCUMODBUBGXUAX-IUODEOHRSA-N
Molecular Weight 248.384 g/mol
SMILES [C@@]1(CSc2ccccc2)(C(=O)CCC[C@]1(C)[H])C
SPLASH splash10-00ds-0940000000-36c2bb838a319e1b5db4
Source of Spectrum F-65-197-6
Synonyms (2R,3R)-2,3-dimethyl-2-[(phenylthio)methyl]-1-cyclohexanone (2R,3R)-2,3-dimethyl-2-(phenylsulfanylmethyl)cyclohexanone (2R,3R)-2,3-dimethyl-2-(phenylsulfanylmethyl)cyclohexan-1-one
Wiley ID 1682154