| SpectraBase Spectrum ID |
CYu0shjj83F |
| Name |
10-Chloro-11B-(o-chlorophenyl)-2,3,5,11B-tetrahydrooxazolo[3,2-B][1,4]benzodiazepin-6(7H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.043233097 u |
| Formula |
C17H14Cl2N2O2 |
| InChI |
InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22) |
| InChIKey |
ZIXNZOBDFKSQTC-UHFFFAOYSA-N |
| Molecular Weight |
349.217 g/mol |
| SMILES |
N1C=2C=CC(=CC2C2(OCCN2CC1=O)C=1C(=CC=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.952842 |
![10-chloro-11b-(o-chlorophenyl)-2,3,5,11b-tetrahydrooxazolo[3,2-b][1,4]benzodiazepin-6(7H)-one](/api/spectrum/CYu0shjj83F/structure.png?h=300&w=458 "10-chloro-11b-(o-chlorophenyl)-2,3,5,11b-tetrahydrooxazolo[3,2-b][1,4]benzodiazepin-6(7H)-one")
