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3,3-Dimethyl-2-[(phenylthio)methyl]cyclobutanone
SpectraBase Compound ID BadvIgABpVR
InChI InChI=1S/C13H16OS/c1-13(2)8-12(14)11(13)9-15-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey KEOAACUKPOTURC-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cDh0Fjcsml
Name 3,3-Dimethyl-2-[(phenylthio)methyl]cyclobutanone
CAS Registry Number 108711-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(2)8-12(14)11(13)9-15-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey KEOAACUKPOTURC-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(C(C)(C)CC1=O)CSc1ccccc1
SPLASH splash10-0229-4690000000-4e822953091c604c238f
Source of Spectrum J-52-3696-17
Synonyms 3,3-Dimethyl-2-[(phenylsulfanyl)methyl]cyclobutanone
Wiley ID 1219834