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5-(Phenylthio)-3-bicyclo[3.3.1]nonanone
SpectraBase Compound ID 2WxveSMBQqd
InChI InChI=1S/C15H18OS/c16-13-9-12-5-4-8-15(10-12,11-13)17-14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11H2
InChIKey CBFKFGACXSIJNZ-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3XXjuLSGZM
Name 5-(Phenylthio)-3-bicyclo[3.3.1]nonanone
CAS Registry Number 66921-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c16-13-9-12-5-4-8-15(10-12,11-13)17-14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11H2
InChIKey CBFKFGACXSIJNZ-UHFFFAOYSA-N
Molecular Weight 246.368 g/mol
SMILES C12(CC(=O)CC(C2)CCC1)Sc1ccccc1
SPLASH splash10-0002-9530000000-4142394bda8bbcb346e3
Source of Spectrum J-43-3659-0
Synonyms 5-(Phenylthio)bicyclo[3.3.1]nonan-3-one 5-Phenylsulfanylbicyclo[3.3.1]nonan-3-one
Wiley ID 1249128