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1H-3a,6-Methanoazulen-5(4H)-one, hexahydro-6-[(phenylthio)methyl]-, (3a.alpha.,6.alpha.,8a.beta.)-
SpectraBase Compound ID Bx9pOE2jY3m
InChI InChI=1S/C18H22OS/c19-16-11-17-9-4-5-14(17)8-10-18(16,12-17)13-20-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2/t14-,17+,18?/m1/s1
InChIKey AVXKGZAWYBIRJP-NAVMLSPISA-N
Mol Weight 286.43 g/mol
Molecular Formula C18H22OS
Exact Mass 286.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ1UnJ03KN7
Name 1H-3a,6-Methanoazulen-5(4H)-one, hexahydro-6-[(phenylthio)methyl]-, (3a.alpha.,6.alpha.,8a.beta.)-
Alternate Name(s) (1R,5R)-8-[(phenylsulfanyl)methyl]tricyclo[6.2.1.0(1,5)]undecan-9-one (3aR*,8aR*)-6-phenylthiomethyl-1,2,3,3a,4,5,6,7,8.8a-decahydro-3a,6-methanoazulen-5-one
CAS Registry Number 64715-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22OS
InChI InChI=1S/C18H22OS/c19-16-11-17-9-4-5-14(17)8-10-18(16,12-17)13-20-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2/t14-,17+,18?/m1/s1
InChIKey AVXKGZAWYBIRJP-NAVMLSPISA-N
Molecular Weight 286.433 g/mol
SMILES C12(C(C[C@]3(C2)CCC[C@@]3(CC1)[H])=O)CSc1ccccc1
SPLASH splash10-002r-3920000000-c6e8c24faf1673fef47b
Source of Spectrum J-43-1039-0
Wiley ID 1290138