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

View entire compound with spectra: 1 MS (GC)

(1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone
SpectraBase Compound ID LS87rCRplIa
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+/m0/s1
InChIKey AEYOVQUDJFBLER-VMYCIMPDSA-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 2AoE4yW9Cgx
Name (1'R(*),2'E,3S(*),4S(*))-3-t-butoxy-4-[1'-(t-butylthio)oct-2'-enyl]cyclopentanone
Alternate Name(s) (3S,4S)-3-tert-butoxy-4-[(1R,2E)-1-(tert-butylsulfanyl)-2-octenyl]cyclopentanone
CAS Registry Number 112775-23-2
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+/m0/s1
InChIKey AEYOVQUDJFBLER-VMYCIMPDSA-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 splash10-0a4l-9200000000-fa26594f04f01f618c2d
Source of Spectrum B-40-960-23
Wiley ID 1344798