| SpectraBase Compound ID | Df8vl2MC5P7 |
|---|---|
| InChI | InChI=1S/C15H11ClN2O2/c16-9-5-6-11-13(7-9)18-15(20)8-12(17-11)10-3-1-2-4-14(10)19/h1-7,19H,8H2,(H,18,20) |
| InChIKey | CGIABXMJTBGGEV-UHFFFAOYSA-N |
| Mol Weight | 286.72 g/mol |
| Molecular Formula | C15H11ClN2O2 |
| Exact Mass | 286.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ECsjaFJSHZ |
|---|---|
| Name | 4-(2'-Hydroxyphenyl)-8-chloro-1,5-benzodiazepin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.050905300 u |
| Formula | C15H11ClN2O2 |
| InChI | InChI=1S/C15H11ClN2O2/c16-9-5-6-11-13(7-9)18-15(20)8-12(17-11)10-3-1-2-4-14(10)19/h1-7,19H,8H2,(H,18,20) |
| InChIKey | CGIABXMJTBGGEV-UHFFFAOYSA-N |
| SMILES | C1(=NC=2C(=CC(=CC2)Cl)NC(C1)=O)C=1C(O)=CC=CC1 |