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2-(Phenylthio)-1-cycloheptanone
SpectraBase Compound ID JZTTFl87oZT
InChI InChI=1S/C13H16OS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey ZOJRLGACAZEORQ-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 4u1c4UEqgNp
Name 2-(Phenylthio)-1-cycloheptanone
CAS Registry Number 52190-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey ZOJRLGACAZEORQ-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(Sc2ccccc2)C(=O)CCCCC1
SPLASH splash10-03di-1940000000-df3e8cfcc07a370ca47b
Source of Spectrum C-98-4898-0
Synonyms 2-(Phenylthio)cycloheptanone 2-Phenylsulfanylcycloheptan-1-one
Wiley ID 1219826