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(1'R(*),2'E,3R(*),4S(*)-3-t-butoxy-4-[1'-pentyl-3'-(phenylthio)prop-2'-enyl]cyclopentan-1-one

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'E,3R(*),4S(*)-3-t-butoxy-4-[1'-pentyl-3'-(phenylthio)prop-2'-enyl]cyclopentan-1-one
SpectraBase Compound ID 2ZIL56pVYSS
InChI InChI=1S/C23H34O2S/c1-5-6-8-11-18(14-15-26-20-12-9-7-10-13-20)21-16-19(24)17-22(21)25-23(2,3)4/h7,9-10,12-15,18,21-22H,5-6,8,11,16-17H2,1-4H3/b15-14+/t18-,21-,22+/m0/s1
InChIKey MVXWMQBMZVFFEU-DVERBNBMSA-N
Mol Weight 374.6 g/mol
Molecular Formula C23H34O2S
Exact Mass 374.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UiK2VFoejw
Name (1'R(*),2'E,3R(*),4S(*)-3-t-butoxy-4-[1'-pentyl-3'-(phenylthio)prop-2'-enyl]cyclopentan-1-one
CAS Registry Number 97996-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O2S
InChI InChI=1S/C23H34O2S/c1-5-6-8-11-18(14-15-26-20-12-9-7-10-13-20)21-16-19(24)17-22(21)25-23(2,3)4/h7,9-10,12-15,18,21-22H,5-6,8,11,16-17H2,1-4H3/b15-14+/t18-,21-,22+/m0/s1
InChIKey MVXWMQBMZVFFEU-DVERBNBMSA-N
Molecular Weight 374.583 g/mol
SMILES [C@]1([C@@](CC(C1)=O)([C@](\C=C\Sc1ccccc1)(CCCCC)[H])[H])(OC(C)(C)C)[H]
SPLASH splash10-0aou-9220000000-e8a726ae478d9a461b91
Source of Spectrum B-40-959-20
Synonyms (3R,4S)-3-tert-butoxy-4-[(2E)-1-pentyl-3-(phenylsulfanyl)-2-propenyl]cyclopentanone
Wiley ID 1356825