Cycloheptanecarbonitrile, 3-oxo-2-[(phenylthio)methyl]-

SpectraBase Compound ID	1iuUXIYhBYa
InChI	InChI=1S/C15H17NOS/c16-10-12-6-4-5-9-15(17)14(12)11-18-13-7-2-1-3-8-13/h1-3,7-8,12,14H,4-6,9,11H2
InChIKey	GQFDEEQHXJIAMR-UHFFFAOYSA-N Google Search
Mol Weight	259.37 g/mol
Molecular Formula	C15H17NOS
Exact Mass	259.103085 g/mol

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SpectraBase Spectrum ID	2Bp9zGDrClC
Name	Cycloheptanecarbonitrile, 3-oxo-2-[(phenylthio)methyl]-
Alternate Name(s)	3-Oxo-2-phenylthiomethyl cycloheptane carbonitrile 3-Oxo-2-[(phenylsulfanyl)methyl]cycloheptanecarbonitrile
CAS Registry Number	112496-78-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H17NOS
InChI	InChI=1S/C15H17NOS/c16-10-12-6-4-5-9-15(17)14(12)11-18-13-7-2-1-3-8-13/h1-3,7-8,12,14H,4-6,9,11H2
InChIKey	GQFDEEQHXJIAMR-UHFFFAOYSA-N
Molecular Weight	259.367 g/mol
SMILES	C1(CSc2ccccc2)C(=O)CCCCC1C#N
SPLASH	splash10-07vi-9400000000-be195530f5243660f672
Source of Spectrum	F-43-320-4
Wiley ID	1262738