| SpectraBase Spectrum ID |
qC2tEuT3MH |
| Name |
7-Chloro-1,3-dihydro-5-(o-fluorophenyl)-4-oxide-2H-1,4-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.041483431 u |
| Formula |
C15H10ClFN2O2 |
| InChI |
InChI=1S/C15H10ClFN2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20) |
| InChIKey |
ZGTHEZQZYSLZDD-UHFFFAOYSA-N |
| Molecular Weight |
304.708 g/mol |
| SMILES |
N1C=2C=CC(=CC2C(=[N+](CC1=O)[O-])C=1C=CC=CC1F)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.970782 |
