| SpectraBase Compound ID | BCU1bL7987h |
|---|---|
| InChI | InChI=1S/C19H13ClN2O3/c20-16-7-1-15(2-8-16)19(23)21-17-9-3-13(4-10-17)14-5-11-18(12-6-14)22(24)25/h1-12H,(H,21,23) |
| InChIKey | LUMCYHBRNRUYCE-UHFFFAOYSA-N |
| Mol Weight | 352.78 g/mol |
| Molecular Formula | C19H13ClN2O3 |
| Exact Mass | 352.06147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAuhfAUyWtz |
|---|---|
| Name | Benzamide, 4-chloro-N-(4'-nitrobiphen-4-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.061469984 u |
| Formula | C19H13ClN2O3 |
| InChI | InChI=1S/C19H13ClN2O3/c20-16-7-1-15(2-8-16)19(23)21-17-9-3-13(4-10-17)14-5-11-18(12-6-14)22(24)25/h1-12H,(H,21,23) |
| InChIKey | LUMCYHBRNRUYCE-UHFFFAOYSA-N |
| Molecular Weight | 352.777 g/mol |
| SMILES | C1=CC(C(NC2=CC=C(C=C2)C2=CC=C(N(=O)=O)C=C2)=O)=CC=C1Cl |