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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 3IvXPGkDbl7
Name 2-Phenylsulfanyl-cycloheptanone
Alternate Name(s) 2-(Phenylthio)cycloheptan-1-one
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
Literature Reference DOI 10.1039/C5RA17913K
Molecular Weight 220.330 g/mol
SMILES C1(C(CCCCC1)Sc1ccccc1)=O
SPLASH splash10-03k9-2940000000-93b224a11385322eaa3f
Source of Spectrum RSA-5-96701-4g
Wiley ID 1802715