Propanedinitrile, [4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]ethyl-, (E)-

SpectraBase Compound ID	8iZUi5OfOyZ
InChI	InChI=1S/C18H21N3O2/c1-5-18(12-19,13-20)16(10-11-17(2,3)4)14-6-8-15(9-7-14)21(22)23/h6-11,16H,5H2,1-4H3/b11-10+
InChIKey	CKFUKYAEYPGDJH-ZHACJKMWSA-N Google Search
Mol Weight	311.39 g/mol
Molecular Formula	C18H21N3O2
Exact Mass	311.163377 g/mol

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SpectraBase Spectrum ID	KjV7Mq9BJ4V
Name	Propanedinitrile, [4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]ethyl-, (E)-
Alternate Name(s)	2-[(2E)-4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]-2-ethylmalononitrile 2-[(E)-4',4'-dimethyl-1'-p-nitrophenylpent-2'-enyl]-2-ethylmalononitrile
CAS Registry Number	86984-13-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H21N3O2
InChI	InChI=1S/C18H21N3O2/c1-5-18(12-19,13-20)16(10-11-17(2,3)4)14-6-8-15(9-7-14)21(22)23/h6-11,16H,5H2,1-4H3/b11-10+
InChIKey	CKFUKYAEYPGDJH-ZHACJKMWSA-N
Molecular Weight	311.385 g/mol
SMILES	c1(N(=O)=O)ccc(C(C(C#N)(C#N)CC)\C=C\C(C)(C)C)cc1
SPLASH	splash10-014i-1690000000-5aea0edb262ea43d7a31
Source of Spectrum	B-36-543-0
Wiley ID	1312523