| SpectraBase Spectrum ID |
2J9zuv67CHS |
| Name |
6-Chloro-1-methyl-1,2-dihydro-4-phenyl-benzo[E]1,3-diazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.076726127 u |
| Formula |
C15H13ClN2 |
| InChI |
InChI=1S/C15H13ClN2/c1-18-10-17-15(11-5-3-2-4-6-11)13-9-12(16)7-8-14(13)18/h2-9H,10H2,1H3 |
| InChIKey |
QHKANZBRVSARFG-UHFFFAOYSA-N |
| Molecular Weight |
256.736 g/mol |
| SMILES |
C=12C(=NCN(C2=CC=C(C1)Cl)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868522 |