| SpectraBase Spectrum ID |
BDMQI7Uo6S9 |
| Name |
7-Chloranyl-5-(4-methoxy-3-nitro-phenyl)-1,3-dihydro-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 |
345.051633574 u |
| Formula |
C16H12ClN3O4 |
| InChI |
InChI=1S/C16H12ClN3O4/c1-24-14-5-2-9(6-13(14)20(22)23)16-11-7-10(17)3-4-12(11)19-15(21)8-18-16/h2-7H,8H2,1H3,(H,19,21) |
| InChIKey |
YKBPRXRKOBTNBR-UHFFFAOYSA-N |
| Molecular Weight |
345.742 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C=2C=3C(NC(CN2)=O)=CC=C(C3)Cl)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932141 |
