SpectraBase Spectrum ID |
FqIQjJwpxd8 |
Name |
7-Chloro-5-phenyl-1,3-dihydro-benzo[E][1,2,4]triazepin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
271.051239653 u |
Formula |
C14H10ClN3O |
InChI |
InChI=1S/C14H10ClN3O/c15-10-6-7-12-11(8-10)13(17-18-14(19)16-12)9-4-2-1-3-5-9/h1-8H,(H2,16,18,19) |
InChIKey |
OGYKKDONUSFVPE-UHFFFAOYSA-N |
SMILES |
C1(=NNC(NC2=C1C=C(C=C2)Cl)=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801884 |