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2,6-Dimethyl-2-phenylthiomethyl-3-oxobicyclo[4.3.0]non-1(9)-en-7-ol

View entire compound with spectra: 1 MS (GC)

2,6-Dimethyl-2-phenylthiomethyl-3-oxobicyclo[4.3.0]non-1(9)-en-7-ol
SpectraBase Compound ID FO7xHnlevzY
InChI InChI=1S/C18H22O2S/c1-17-11-10-16(20)18(2,14(17)8-9-15(17)19)12-21-13-6-4-3-5-7-13/h3-8,15,19H,9-12H2,1-2H3/t15-,17-,18-/m0/s1
InChIKey IPXQEUHUVBJYEU-SZMVWBNQSA-N
Mol Weight 302.43 g/mol
Molecular Formula C18H22O2S
Exact Mass 302.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FJaHCSGZ5Z
Name 2,6-Dimethyl-2-phenylthiomethyl-3-oxobicyclo[4.3.0]non-1(9)-en-7-ol
Alternate Name(s) (1S,4S,7aS)-1-Hydroxy-4,7a-dimethyl-4-phenylsulfanylmethyl-1,2,4,6,7,7a-hexahydro-inden-5-one 1-Hydroxy-4,7a-dimethyl-4-[(phenylsulfanyl)methyl]-1,2,4,6,7,7a-hexahydro-5H-inden-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2S
InChI InChI=1S/C18H22O2S/c1-17-11-10-16(20)18(2,14(17)8-9-15(17)19)12-21-13-6-4-3-5-7-13/h3-8,15,19H,9-12H2,1-2H3/t15-,17-,18-/m0/s1
InChIKey IPXQEUHUVBJYEU-SZMVWBNQSA-N
Molecular Weight 302.432 g/mol
SMILES O[C@@]1([C@@]2(C([C@@](C(=O)CC2)(CSc2ccccc2)C)=CC1)C)[H]
SPLASH splash10-0fkc-1901000000-b6457e5c4025a7e487a6
Source of Spectrum QE-4-1485-16
Wiley ID 843708