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2-Benzyl-2-(2'-phenylallyl)malononitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Benzyl-2-(2'-phenylallyl)malononitrile
SpectraBase Compound ID 3HrdFd0zqvu
InChI InChI=1S/C19H16N2/c1-16(18-10-6-3-7-11-18)12-19(14-20,15-21)13-17-8-4-2-5-9-17/h2-11H,1,12-13H2
InChIKey ZXCYMLNEVCSQQK-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C19H16N2
Exact Mass 272.131349 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DvDE73xNi4j
Name 2-Benzyl-2-(2'-phenylallyl)malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.131348523 u
Formula C19H16N2
InChI InChI=1S/C19H16N2/c1-16(18-10-6-3-7-11-18)12-19(14-20,15-21)13-17-8-4-2-5-9-17/h2-11H,1,12-13H2
InChIKey ZXCYMLNEVCSQQK-UHFFFAOYSA-N
Molecular Weight 272.351 g/mol
SMILES C(C#N)(C#N)(CC(C=1C=CC=CC1)=C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97753