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1-Methyl-7-exo-(phenylthio)bicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID 791U9yEYJo
InChI InChI=1S/C14H16OS/c1-14-11(8-5-9-12(14)15)13(14)16-10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3
InChIKey NBNMIRYOVFWPHY-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 EM64kNqflwj
Name 1-Methyl-7-exo-(phenylthio)bicyclo[4.1.0]heptan-2-one
CAS Registry Number 122190-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-14-11(8-5-9-12(14)15)13(14)16-10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3
InChIKey NBNMIRYOVFWPHY-UHFFFAOYSA-N
Molecular Weight 232.341 g/mol
SMILES C12(C(Sc3ccccc3)C1CCCC2=O)C
SPLASH splash10-000t-9560000000-5db67380e115d44c9bc4
Source of Spectrum J-54-4409-2
Synonyms 1-Methyl-7-(phenylsulfanyl)bicyclo[4.1.0]heptan-2-one
Wiley ID 1233909