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(E)-2-Amino-5,5-diphenyl-3-propenylcyclopenta-1,3-diene-1-carbonitrile

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

(E)-2-Amino-5,5-diphenyl-3-propenylcyclopenta-1,3-diene-1-carbonitrile
SpectraBase Compound ID LR1a08QspfD
InChI InChI=1S/C21H18N2/c1-2-9-16-14-21(19(15-22)20(16)23,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-14H,23H2,1H3/b9-2+
InChIKey BWEIQEBNJMWBEG-XNWCZRBMSA-N
Mol Weight 298.39 g/mol
Molecular Formula C21H18N2
Exact Mass 298.146999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HImKfY3qag6
Name (E)-2-Amino-5,5-diphenyl-3-propenylcyclopenta-1,3-diene-1-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.146998588 u
Formula C21H18N2
InChI InChI=1S/C21H18N2/c1-2-9-16-14-21(19(15-22)20(16)23,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-14H,23H2,1H3/b9-2+
InChIKey BWEIQEBNJMWBEG-XNWCZRBMSA-N
SMILES C1(=C(C(=CC1(C=1C=CC=CC1)C=1C=CC=CC1)\C=C\C)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972013