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Bicyclo[4.1.0]heptan-2-one, 1-(phenylthio)-
SpectraBase Compound ID 16sRCTDahIb
InChI InChI=1S/C13H14OS/c14-12-8-4-5-10-9-13(10,12)15-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKey PEARURIEXZHMKH-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7jajIbwPYd
Name Bicyclo[4.1.0]heptan-2-one, 1-(phenylthio)-
CAS Registry Number 113975-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14OS
InChI InChI=1S/C13H14OS/c14-12-8-4-5-10-9-13(10,12)15-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKey PEARURIEXZHMKH-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C12(CC2CCCC1=O)Sc1ccccc1
SPLASH splash10-015c-9170000000-421cf74f8d1e631bb7ad
Source of Spectrum J-54-4410-3
Synonyms 6-(Phenylthio)-5-bicyclo[4.1.0]heptanone 1-Phenylsulfanylnorcaran-2-one 6-Phenylsulfanylbicyclo[4.1.0]heptan-5-one
Wiley ID 1217666