| SpectraBase Spectrum ID |
739A4TCBpya |
| Name |
6-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/c13-7-3-1-4-8-10(7)12(17)15-6-2-5-9(15)11(16)14-8/h1,3-4,9H,2,5-6H2,(H,14,16)/t9-/m0/s1 |
| InChIKey |
HPEGTNADRVIHAZ-VIFPVBQESA-N |
| Molecular Weight |
295.136 g/mol |
| SMILES |
C1(N2[C@](C(=O)NC=3C1=C(Br)C=CC3)(CCC2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963152 |
![6-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione](/api/spectrum/739A4TCBpya/structure.png?h=300&w=458 "6-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione")
