Acetamide, N-[4-cyano-2-(phenylthio)butyl]-

SpectraBase Compound ID	HGPeqWfQaGw
InChI	InChI=1S/C13H16N2OS/c1-11(16)15-10-13(8-5-9-14)17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8,10H2,1H3,(H,15,16)
InChIKey	KIWPHCSYQQMRMG-UHFFFAOYSA-N Google Search
Mol Weight	248.34 g/mol
Molecular Formula	C13H16N2OS
Exact Mass	248.098334 g/mol

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SpectraBase Spectrum ID	JFZe3WUyeQS
Name	Acetamide, N-[4-cyano-2-(phenylthio)butyl]-
Alternate Name(s)	5-Acetamido-4-(phenylthio)pentanenitrile N-[4-cyano-2-(phenylsulfanyl)butyl]acetamide
CAS Registry Number	117768-55-5
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H16N2OS
InChI	InChI=1S/C13H16N2OS/c1-11(16)15-10-13(8-5-9-14)17-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8,10H2,1H3,(H,15,16)
InChIKey	KIWPHCSYQQMRMG-UHFFFAOYSA-N
Molecular Weight	248.344 g/mol
SMILES	N(C(=O)C)CC(Sc1ccccc1)CCC#N
SPLASH	splash10-000i-0910000000-2c9063d3b01e6ed25abf
Source of Spectrum	KC-1988-2528-55
Wiley ID	1250914