3-[(1.alpha.,2.alpha.)-2-Cyano-5-oxo-1-phenylcyclohexyl]propionitrile

SpectraBase Compound ID	I3yYMVmiBg
InChI	InChI=1S/C16H16N2O/c17-10-4-9-16(13-5-2-1-3-6-13)11-15(19)8-7-14(16)12-18/h1-3,5-6,14H,4,7-9,11H2/t14-,16-/m1/s1
InChIKey	RCTOWXXGBDCMSW-GDBMZVCRSA-N Google Search
Mol Weight	252.32 g/mol
Molecular Formula	C16H16N2O
Exact Mass	252.126263 g/mol

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SpectraBase Spectrum ID	ClQjeFs14uO
Name	3-[(1.alpha.,2.alpha.)-2-Cyano-5-oxo-1-phenylcyclohexyl]propionitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H16N2O
InChI	InChI=1S/C16H16N2O/c17-10-4-9-16(13-5-2-1-3-6-13)11-15(19)8-7-14(16)12-18/h1-3,5-6,14H,4,7-9,11H2/t14-,16-/m1/s1
InChIKey	RCTOWXXGBDCMSW-GDBMZVCRSA-N
Molecular Weight	252.317 g/mol
SMILES	[C@@]1([C@@](C#N)(CCC(C1)=O)[H])(c1ccccc1)CCC#N
SPLASH	splash10-052b-9850000000-b8c197cd10152bbd5f5d
Source of Spectrum	SO-0-962-19
Synonyms	(1S,2S)-2-(2-cyanoethyl)-4-oxo-2-phenylcyclohexanecarbonitrile 3-[(1.alpha.,2.beta.)-2-Cyano-5-oxo-1-phenylcyclohexyl]propionitrile
Wiley ID	1545840