![6-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione](/api/spectrum/JQavPJqNLHs/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")
| SpectraBase Compound ID | 28DiM4D3bb6 |
|---|---|
| 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 |
| Mol Weight | 295.14 g/mol |
| Molecular Formula | C12H11BrN2O2 |
| Exact Mass | 294.000391 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JQavPJqNLHs |
|---|---|
| Name | 6-Bromo-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-5,11(10H)-dione |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | N1C([C@]2(N(C(c3c1cccc3Br)=O)CCC2)[H])=O |
| SPLASH | splash10-00di-9020000000-b8201e8bbd140d4d12a4 |
| Source of Spectrum | B-52-1066-30 |
| Synonyms | (S)-6-Bromo-1,2,3,11a-tetrahydro-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione 1-bromanyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione 1-bromo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione 1-bromo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-quinone 6-bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione (6aS)-1-bromo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione (6aS)-1-bromanyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione |
| Wiley ID | 746876 |