| SpectraBase Compound ID | AigSWmbcAey |
|---|---|
| InChI | InChI=1S/C17H13ClN2O/c18-13-7-9-15-16(10-13)20-17(21)11-14(19-15)8-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)/b8-6+ |
| InChIKey | MLVRVEXHZALYHR-SOFGYWHQSA-N |
| Mol Weight | 296.76 g/mol |
| Molecular Formula | C17H13ClN2O |
| Exact Mass | 296.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6cLDMLBAOD |
|---|---|
| Name | 1H-1,5-Benzodiazepin-2-one, 8-chloro-2,3-dihydro-4-(2-phenylethenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.071640746 u |
| Formula | C17H13ClN2O |
| InChI | InChI=1S/C17H13ClN2O/c18-13-7-9-15-16(10-13)20-17(21)11-14(19-15)8-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)/b8-6+ |
| InChIKey | MLVRVEXHZALYHR-SOFGYWHQSA-N |
| SMILES | C12=C(C=C(C=C2)Cl)NC(=O)CC(=N1)\C=C\C1=CC=CC=C1 |