| SpectraBase Spectrum ID |
3heWWaBqRHr |
| Name |
8-Bromo-1,2,3,11A-tetrahydro-5H-pyrrolo[2,1-C]-[1,4]benzodiazepine-5,11(10H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.000390600 u |
| Formula |
C12H11BrN2O2 |
| InChI |
InChI=1S/C12H11BrN2O2/c13-7-3-4-8-9(6-7)14-11(16)10-2-1-5-15(10)12(8)17/h3-4,6,10H,1-2,5H2,(H,14,16) |
| InChIKey |
BAOWCEAHXSQWQZ-UHFFFAOYSA-N |
| SMILES |
C1(NC=2C(C(N3C1CCC3)=O)=CC=C(C2)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980537 |
![8-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione](/api/spectrum/3heWWaBqRHr/structure.png?h=300&w=458 "8-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione")
