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[1.alpha.(S*),5.beta.]-1-(Phenylsulfinyl)bicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID HIXGTy8UntS
InChI InChI=1S/C15H18O2S/c16-13-9-12-5-4-8-15(10-12,11-13)18(17)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11H2/t12-,15+,18?/m1/s1
InChIKey RMPTWOOJSCWCSQ-GTFDWKPMSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IZclk1g43B
Name [1.alpha.(S*),5.beta.]-1-(Phenylsulfinyl)bicyclo[3.3.1]nonan-3-one
Alternate Name(s) (1S,5R)-1-(phenylsulfinyl)bicyclo[3.3.1]nonan-3-one
CAS Registry Number 67009-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c16-13-9-12-5-4-8-15(10-12,11-13)18(17)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11H2/t12-,15+,18?/m1/s1
InChIKey RMPTWOOJSCWCSQ-GTFDWKPMSA-N
Molecular Weight 262.367 g/mol
SMILES [C@]12([S@](=O)c3ccccc3)CC(=O)C[C@@](C1)([H])CCC2
SPLASH splash10-053j-9500000000-cec77ed789666bb78f9e
Source of Spectrum J-43-3659-0
Wiley ID 1265776