(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(phenylthio)oct-2'-enyl]cyclopentanone

SpectraBase Compound ID	BLmq5WTWjN8
InChI	InChI=1S/C23H34O2S/c1-5-6-7-8-12-15-22(26-19-13-10-9-11-14-19)20-16-18(24)17-21(20)25-23(2,3)4/h9-15,20-22H,5-8,16-17H2,1-4H3/b15-12+/t20-,21-,22-/m1/s1
InChIKey	CUMXCGDQOJWREO-NHQBRHFOSA-N Google Search
Mol Weight	374.6 g/mol
Molecular Formula	C23H34O2S
Exact Mass	374.227952 g/mol

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SpectraBase Spectrum ID	34B1lhq3FIw
Name	(1'R(),2'E,3R(),4R(*))-3-t-butoxy-4-[1'-(phenylthio)oct-2'-enyl]cyclopentanone
CAS Registry Number	112836-94-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H34O2S
InChI	InChI=1S/C23H34O2S/c1-5-6-7-8-12-15-22(26-19-13-10-9-11-14-19)20-16-18(24)17-21(20)25-23(2,3)4/h9-15,20-22H,5-8,16-17H2,1-4H3/b15-12+/t20-,21-,22-/m1/s1
InChIKey	CUMXCGDQOJWREO-NHQBRHFOSA-N
Molecular Weight	374.583 g/mol
SMILES	[C@]1([C@]([C@](Sc2ccccc2)(\C=C\CCCCC)[H])(CC(C1)=O)[H])(OC(C)(C)C)[H]
SPLASH	splash10-0a4i-9210000000-71ca8a985296260e219f
Source of Spectrum	B-40-958-16
Synonyms	(3R,4R)-3-tert-butoxy-4-[(1R,2E)-1-(phenylsulfanyl)-2-octenyl]cyclopentanone
Wiley ID	1356823