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1-(Phenylthio)-7-exo-methylbicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID EPmiIQk85nz
InChI InChI=1S/C14H16OS/c1-10-12-8-5-9-13(15)14(10,12)16-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKey SFEOVAKFQVWFEY-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KvOM7ZyMIv
Name 1-(Phenylthio)-7-exo-methylbicyclo[4.1.0]heptan-2-one
CAS Registry Number 113975-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-10-12-8-5-9-13(15)14(10,12)16-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKey SFEOVAKFQVWFEY-UHFFFAOYSA-N
Molecular Weight 232.341 g/mol
SMILES C12(C(CCCC2=O)C1C)Sc1ccccc1
SPLASH splash10-0a59-5950000000-3b01e1147632f9842450
Source of Spectrum J-54-4410-3
Synonyms 7-Methyl-1-(phenylsulfanyl)bicyclo[4.1.0]heptan-2-one
Wiley ID 1233910