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

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone
SpectraBase Compound ID 4Z8y7mGqM9u
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-12-13-19(24-21(5,6)7)17-14-16(22)15-18(17)23-20(2,3)4/h12-13,17-19H,8-11,14-15H2,1-7H3/b13-12+/t17-,18-,19-/m1/s1
InChIKey AEYOVQUDJFBLER-UJDRWXGJSA-N
Mol Weight 354.6 g/mol
Molecular Formula C21H38O2S
Exact Mass 354.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HjY829XImB
Name (1'R(*),2'E,3R(*),4R(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone
Alternate Name(s) (3R,4R)-3-tert-butoxy-4-[(1R,2E)-1-(tert-butylsulfanyl)-2-octenyl]cyclopentanone
CAS Registry Number 113890-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2S
InChI InChI=1S/C21H38O2S/c1-8-9-10-11-12-13-19(24-21(5,6)7)17-14-16(22)15-18(17)23-20(2,3)4/h12-13,17-19H,8-11,14-15H2,1-7H3/b13-12+/t17-,18-,19-/m1/s1
InChIKey AEYOVQUDJFBLER-UJDRWXGJSA-N
Molecular Weight 354.593 g/mol
SMILES [C@]1([C@]([C@](SC(C)(C)C)(\C=C\CCCCC)[H])(CC(C1)=O)[H])(OC(C)(C)C)[H]
SPLASH splash10-0a4i-9020000000-cfaf7e9fe80aa002117a
Source of Spectrum B-40-959-22
Wiley ID 1344797