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2-Benzyl-2-isopropenylmalononitrile
SpectraBase Compound ID C6F7E0nVxh8
InChI InChI=1S/C13H12N2/c1-11(2)13(9-14,10-15)8-12-6-4-3-5-7-12/h3-7H,1,8H2,2H3
InChIKey NNXWNEOPPKGQET-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C13H12N2
Exact Mass 196.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGBxFF4406R
Name 2-Benzyl-2-isopropenylmalononitrile
CAS Registry Number 69564-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2
InChI InChI=1S/C13H12N2/c1-11(2)13(9-14,10-15)8-12-6-4-3-5-7-12/h3-7H,1,8H2,2H3
InChIKey NNXWNEOPPKGQET-UHFFFAOYSA-N
Molecular Weight 196.253 g/mol
SMILES c1cc(ccc1)CC(C#N)(C#N)C(=C)C
SPLASH splash10-0006-9000000000-1e6e2e773cd5da1d0304
Source of Spectrum HE-1982-0-0
Synonyms 2-(1-Methylethenyl)-2-(phenylmethyl)propanedinitrile 2-(Phenylmethyl)-2-prop-1-en-2-yl-propanedinitrile 2-Benzyl-2-isopropenyl-propanedinitrile 2-Benzyl-2-prop-1-en-2-ylpropanedinitrile Propanedinitrile, (1-methylethenyl)(phenylmethyl)-
Wiley ID 1193834