For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aS,6aR)-5-(3,4-Dimethoxy-phenyl)-6a-methyl-6,6-bis-methylsulfanyl-3,3a,6,6a-tetrahydro-2H-pentalen-1-one
SpectraBase Compound ID CiB6Pgd0RuF
InChI InChI=1S/C19H24O3S2/c1-18-13(7-9-17(18)20)11-14(19(18,23-4)24-5)12-6-8-15(21-2)16(10-12)22-3/h6,8,10-11,13H,7,9H2,1-5H3/t13-,18+/m0/s1
InChIKey VCCWKVGMIJSAGT-SCLBCKFNSA-N
Mol Weight 364.52 g/mol
Molecular Formula C19H24O3S2
Exact Mass 364.116687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L3FP3uIPqG3
Name (3aS,6aR)-5-(3,4-Dimethoxy-phenyl)-6a-methyl-6,6-bis-methylsulfanyl-3,3a,6,6a-tetrahydro-2H-pentalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3S2
InChI InChI=1S/C19H24O3S2/c1-18-13(7-9-17(18)20)11-14(19(18,23-4)24-5)12-6-8-15(21-2)16(10-12)22-3/h6,8,10-11,13H,7,9H2,1-5H3/t13-,18+/m0/s1
InChIKey VCCWKVGMIJSAGT-SCLBCKFNSA-N
Molecular Weight 364.518 g/mol
SMILES C1([C@@]2([C@](CCC2=O)([H])C=C1c1cc(OC)c(cc1)OC)C)(SC)SC
SPLASH splash10-014i-0096000000-edef029767d0a6f4cd94
Source of Spectrum F-54-537-13
Synonyms (1R,S,5S,R)-2-Bis(methylthio)-3-(3,4-dimethoxyphenyl)-1-methylbicyclo[3.3.0]oct-3-en-8-one (1R,S,5S,R)-2-Bis(methylthio)-3-(3,4-methoxyphenyl)-1-methylbicyclo[3.3.0]oct-3-en-8-one (3aS,6aR)-5-(3,4-dimethoxyphenyl)-6a-methyl-6,6-bis(methylsulfanyl)-3,3a,6,6a-tetrahydro-1(2H)-pentalenone
Wiley ID 805359