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(E)-4-[1-(2-Cyanoethenyl)]phencyclidine

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

(E)-4-[1-(2-Cyanoethenyl)]phencyclidine
SpectraBase Compound ID 8d7BZJG2kZP
InChI InChI=1S/C20H26N2/c21-15-7-8-18-11-16-22(17-12-18)20(13-5-2-6-14-20)19-9-3-1-4-10-19/h1,3-4,7-10,18H,2,5-6,11-14,16-17H2/b8-7+
InChIKey TUNRJCRDWVHSCL-BQYQJAHWSA-N
Mol Weight 294.44 g/mol
Molecular Formula C20H26N2
Exact Mass 294.209599 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGZIXutDd63
Name (E)-4-[1-(2-Cyanoethenyl)]phencyclidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.209598845 u
Formula C20H26N2
InChI InChI=1S/C20H26N2/c21-15-7-8-18-11-16-22(17-12-18)20(13-5-2-6-14-20)19-9-3-1-4-10-19/h1,3-4,7-10,18H,2,5-6,11-14,16-17H2/b8-7+
InChIKey TUNRJCRDWVHSCL-BQYQJAHWSA-N
SMILES C1(N2CCC(\C=C\C#N)CC2)(C=2C=CC=CC2)CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964861