| SpectraBase Spectrum ID |
CrXmcZNCkfa |
| Name |
1,3-Diphenyl-7-chloro-1,4-dihydro-1,2,4-benzotriazin-4-yl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.079800131 u |
| Formula |
C19H13ClN3 |
| InChI |
InChI=1S/C19H13ClN3/c20-15-11-12-17-18(13-15)23(16-9-5-2-6-10-16)22-19(21-17)14-7-3-1-4-8-14/h1-13H |
| InChIKey |
HPOFZRKWBCEJED-UHFFFAOYSA-N |
| Molecular Weight |
318.787 g/mol |
| SMILES |
C1(=NN(C=2C([N]1)=CC=C(C2)Cl)C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952097 |
