(2'E,3RS,4SR,SsRr)-3-(1,1-dimethylethoxy)-4-[1',1'-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone

SpectraBase Compound ID	BFDPBGk5B1g
InChI	InChI=1S/C20H28O3S/c1-19(2,3)23-18-14-15(21)13-17(18)20(4,5)11-12-24(22)16-9-7-6-8-10-16/h6-12,17-18H,13-14H2,1-5H3/b12-11+
InChIKey	LDBPVKXFBHLKAB-VAWYXSNFSA-N Google Search
Mol Weight	348.5 g/mol
Molecular Formula	C20H28O3S
Exact Mass	348.175916 g/mol

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SpectraBase Spectrum ID	EwtS0E4R541
Name	(2'E,3RS,4SR,SsRr)-3-(1,1-dimethylethoxy)-4-[1',1'-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone
CAS Registry Number	114718-10-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H28O3S
InChI	InChI=1S/C20H28O3S/c1-19(2,3)23-18-14-15(21)13-17(18)20(4,5)11-12-24(22)16-9-7-6-8-10-16/h6-12,17-18H,13-14H2,1-5H3/b12-11+
InChIKey	LDBPVKXFBHLKAB-VAWYXSNFSA-N
Molecular Weight	348.501 g/mol
SMILES	C1(C(C(\C=C\S(=O)c2ccccc2)(C)C)CC(C1)=O)OC(C)(C)C
SPLASH	splash10-0a4j-5930000000-6f6260bab3a7fa45d2d4
Source of Spectrum	C-110-5419-65
Synonyms	(2'E,3RS,4SR,RsSs)-3-(1.1-dimethylethoxy)-4-[1',1'-dimethyl-3'-(phenylsulfinyl)propo-2-enyl]cyclopentanone (2'E,3RS,4SR,RSSS)-3-(1.1-dimethylethoxoy)-4-[1',1'-dimethyl-3'-(phenylsulfinyl)propo-2-enyl]cyclopentanone 3-tert-Butoxy-4-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]cyclopentanone
Wiley ID	1340683