SpectraBase Spectrum ID |
FYnt55OuSfb |
Name |
(Z,E)-3,4-bis(Cyanomethylene)-1,2-bis[piperidino]-1-cyclobutene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.184446724 u |
Formula |
C18H22N4 |
InChI |
InChI=1S/C18H22N4/c19-9-7-15-16(8-10-20)18(22-13-5-2-6-14-22)17(15)21-11-3-1-4-12-21/h7-8H,1-6,11-14H2/b15-7-,16-8+ |
InChIKey |
FMZVLHVQCMVZQW-BSHIDLADSA-N |
Molecular Weight |
294.402 g/mol |
SMILES |
C1(=C(N2CCCCC2)\C(\C1=C/C#N)=C\C#N)N1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941195 |