| SpectraBase Spectrum ID |
7Wb8o1NmpVM |
| Name |
3-Amino-2-cyano-4-chloro-5-{[(p-tolyl)hydrazo]glyoxalyl}-biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.104003501 u |
| Formula |
C22H17ClN4O2 |
| InChI |
InChI=1S/C22H17ClN4O2/c1-13-7-9-15(10-8-13)26-27-22(29)21(28)17-11-16(14-5-3-2-4-6-14)18(12-24)20(25)19(17)23/h2-11,26H,25H2,1H3,(H,27,29) |
| InChIKey |
GFYCQBROFGEIJP-UHFFFAOYSA-N |
| Molecular Weight |
404.857 g/mol |
| SMILES |
C1(=C(C(N)=C(C(=C1)C=1C=CC=CC1)C#N)Cl)C(C(NNC=1C=CC(=CC1)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842243 |
![3-Amino-2-cyano-4-chloro-5-{[(p-tolyl)hydrazo]glyoxalyl}-biphenyl](/api/spectrum/7Wb8o1NmpVM/structure.png?h=300&w=458 "3-Amino-2-cyano-4-chloro-5-{[(p-tolyl)hydrazo]glyoxalyl}-biphenyl")
