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(3S,3aS,6aS)-3-allyl-3a,6a-dimethyl-3-(phenylthio)-1,4,5,6-tetrahydropentalen-2-one
SpectraBase Compound ID IoLkVFb9kWs
InChI InChI=1S/C19H24OS/c1-4-11-19(21-15-9-6-5-7-10-15)16(20)14-17(2)12-8-13-18(17,19)3/h4-7,9-10H,1,8,11-14H2,2-3H3/t17-,18-,19+/m0/s1
InChIKey CWBDSDCJMFTUFE-GBESFXJTSA-N
Mol Weight 300.46 g/mol
Molecular Formula C19H24OS
Exact Mass 300.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wFSbiaOssV
Name (3S,3aS,6aS)-3-allyl-3a,6a-dimethyl-3-(phenylthio)-1,4,5,6-tetrahydropentalen-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24OS
InChI InChI=1S/C19H24OS/c1-4-11-19(21-15-9-6-5-7-10-15)16(20)14-17(2)12-8-13-18(17,19)3/h4-7,9-10H,1,8,11-14H2,2-3H3/t17-,18-,19+/m0/s1
InChIKey CWBDSDCJMFTUFE-GBESFXJTSA-N
Molecular Weight 300.460 g/mol
SMILES [C@]1([C@@]2([C@](CCC2)(C)CC1=O)C)(Sc1ccccc1)CC=C
SPLASH splash10-0002-9222000000-f74d75d2530df392c356
Source of Spectrum E1-41-33-9
Synonyms (3S,3aS,6aS)-3-allyl-3a,6a-dimethyl-3-phenylsulfanyl-1,4,5,6-tetrahydropentalen-2-one (3S,3aS,6aS)-3a,6a-dimethyl-3-(phenylthio)-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one (3S,3aS,6aS)-3a,6a-dimethyl-3-phenylsulfanyl-3-prop-2-enyl-1,4,5,6-tetrahydropentalen-2-one
Wiley ID 1551851