![7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/FEaP04aQ74s/structure.png?h=300&w=458 "7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
| SpectraBase Compound ID | 199l48zhFVN |
|---|---|
| InChI | InChI=1S/C16H13BrN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20) |
| InChIKey | GAONFNHSQRTFJA-UHFFFAOYSA-N |
| Mol Weight | 329.2 g/mol |
| Molecular Formula | C16H13BrN2O |
| Exact Mass | 328.021126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEaP04aQ74s |
|---|---|
| Name | 7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.021126046 u |
| Formula | C16H13BrN2O |
| InChI | InChI=1S/C16H13BrN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20) |
| InChIKey | GAONFNHSQRTFJA-UHFFFAOYSA-N |
| Molecular Weight | 329.197 g/mol |
| SMILES | C1(=NC(C(NC2=C1C=C(C=C2)Br)=O)C)C1=CC=CC=C1 |