| SpectraBase Spectrum ID |
EYx6xhfufSC |
| Name |
1-Amino-2,6,6-tricyano-3,5-diphenyl-5-methylcyclohexa-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.137496531 u |
| Formula |
C22H16N4 |
| InChI |
InChI=1S/C22H16N4/c1-21(17-10-6-3-7-11-17)12-18(16-8-4-2-5-9-16)19(13-23)20(26)22(21,14-24)15-25/h2-12H,26H2,1H3 |
| InChIKey |
ZGNIHRDVKKGEEH-UHFFFAOYSA-N |
| Molecular Weight |
336.398 g/mol |
| SMILES |
C1(C(C(=C(C(=C1)C1=CC=CC=C1)C#N)N)(C#N)C#N)(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818529 |
