| SpectraBase Spectrum ID |
1iR02BoORgf |
| Name |
1,3-Dimethyl-2-methoxy-5-(2-fluorophenyl)-7-chloro-1,4(1H)-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.093519005 u |
| Formula |
C18H16ClFN2O |
| InChI |
InChI=1S/C18H16ClFN2O/c1-11-18(23-3)22(2)16-9-8-12(19)10-14(16)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3 |
| InChIKey |
SOSCQIBYACYFCT-UHFFFAOYSA-N |
| Molecular Weight |
330.790 g/mol |
| SMILES |
C12=C(C=CC(=C2)Cl)N(C(=C(N=C1C1=C(C=CC=C1)F)C)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925164 |
