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(2R*,1'R*,2'S*)-2-[1-Methoxy-2-(phenylthio)propyl]cyclohexanone
SpectraBase Compound ID 5pdDwsQKMUO
InChI InChI=1S/C16H22O2S/c1-12(19-13-8-4-3-5-9-13)16(18-2)14-10-6-7-11-15(14)17/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t12-,14-,16-/m0/s1
InChIKey SQWFEGCCUPCPQB-NOLJZWGESA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ni7b5ISe
Name (2R*,1'R*,2'S*)-2-[1-Methoxy-2-(phenylthio)propyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-12(19-13-8-4-3-5-9-13)16(18-2)14-10-6-7-11-15(14)17/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t12-,14-,16-/m0/s1
InChIKey SQWFEGCCUPCPQB-NOLJZWGESA-N
Molecular Weight 278.410 g/mol
SMILES [C@]1([C@]([C@@](Sc2ccccc2)(C)[H])(OC)[H])(C(=O)CCCC1)[H]
SPLASH splash10-001r-6900000000-97658c58de7ed3598105
Source of Spectrum J-58-586-3
Synonyms (2R)-2-[(1R,2S)-1-methoxy-2-(phenylsulfanyl)propyl]cyclohexanone
Wiley ID 1282001