2(S),3(R)-Dimethyl-4(S)-[(phenylthio)methyl]-5(S)-(t-butylmethyl)-(perhydro)pyran-6-one

SpectraBase Compound ID	AxwlZ7fvaRi
InChI	InChI=1S/C19H28O2S/c1-13-14(2)21-18(20)16(11-19(3,4)5)17(13)12-22-15-9-7-6-8-10-15/h6-10,13-14,16-17H,11-12H2,1-5H3/t13-,14-,16-,17-/m0/s1
InChIKey	LGGDSIFNHWDIBK-OTRWWLKZSA-N Google Search
Mol Weight	320.49 g/mol
Molecular Formula	C19H28O2S
Exact Mass	320.181001 g/mol

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SpectraBase Spectrum ID	9PQjaqEJQyV
Name	2(S),3(R)-Dimethyl-4(S)-[(phenylthio)methyl]-5(S)-(t-butylmethyl)-(perhydro)pyran-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H28O2S
InChI	InChI=1S/C19H28O2S/c1-13-14(2)21-18(20)16(11-19(3,4)5)17(13)12-22-15-9-7-6-8-10-15/h6-10,13-14,16-17H,11-12H2,1-5H3/t13-,14-,16-,17-/m0/s1
InChIKey	LGGDSIFNHWDIBK-OTRWWLKZSA-N
Molecular Weight	320.491 g/mol
SMILES	C1(O[C@@](C)([C@@]([C@@]([C@@]1(CC(C)(C)C)[H])(CSc1ccccc1)[H])(C)[H])[H])=O
SPLASH	splash10-0a4i-9110000000-8755ef713c5e75d1308a
Source of Spectrum	D1-1996-700-6
Synonyms	(3S,4S,5R,6S)-5,6-dimethyl-3-neopentyl-4-[(phenylsulfanyl)methyl]tetrahydro-2H-pyran-2-one 2,3-Dimethyl-4-[(phenylthio)methyl]-5-(t-butylmethyl)-(perhydro)pyran-6-one
Wiley ID	834744