(1S,4S,7R) 1-(t-Butylmethyl)-2-oxo-4-methyl-7-[(phenylthio)methyl]-3-oxabicyclo[4.3.0(4,9)]nonane

SpectraBase Compound ID	45PZ8bBGL0n
InChI	InChI=1S/C21H30O2S/c1-20(2,3)13-17-18-12-15(10-11-21(18,4)23-19(17)22)14-24-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/t15-,17-,18-,21-/m0/s1
InChIKey	VOKGWFLQXPMJRL-DBSRCYSRSA-N Google Search
Mol Weight	346.53 g/mol
Molecular Formula	C21H30O2S
Exact Mass	346.196651 g/mol

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SpectraBase Spectrum ID	GM2sv9zHbhH
Name	(1S,4S,7R) 1-(t-Butylmethyl)-2-oxo-4-methyl-7-[(phenylthio)methyl]-3-oxabicyclo[4.3.0(4,9)]nonane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H30O2S
InChI	InChI=1S/C21H30O2S/c1-20(2,3)13-17-18-12-15(10-11-21(18,4)23-19(17)22)14-24-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/t15-,17-,18-,21-/m0/s1
InChIKey	VOKGWFLQXPMJRL-DBSRCYSRSA-N
Molecular Weight	346.529 g/mol
SMILES	C1(O[C@]2(CC[C@@](C[C@]2([C@@]1(CC(C)(C)C)[H])[H])(CSc1ccccc1)[H])C)=O
SPLASH	splash10-06r2-5519000000-415399442e723e098670
Source of Spectrum	D1-1996-700-5
Synonyms	(3S,3aS,5S,7aS)-7a-methyl-3-neopentyl-5-[(phenylsulfanyl)methyl]hexahydro-1-benzofuran-2(3H)-one 1-(t-Butylmethyl)-2-oxo-4-allyl-7-[(phenylthio)methyl]-3-oxabicyclo[4.3.0(4,9)]nonane
Wiley ID	834745