| SpectraBase Compound ID | LML8SzrhNBC |
|---|---|
| InChI | InChI=1S/C17H17ClN2O2/c1-12(19-15-5-3-2-4-6-15)11-16(21)20-17(22)13-7-9-14(18)10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21,22) |
| InChIKey | XNTRPLNFYZDAQI-UHFFFAOYSA-N |
| Mol Weight | 316.79 g/mol |
| Molecular Formula | C17H17ClN2O2 |
| Exact Mass | 316.097855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKnOwIQIrMm |
|---|---|
| Name | 4-Chloro-N-(3-phenylamino-butyryl)-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.097855493 u |
| Formula | C17H17ClN2O2 |
| InChI | InChI=1S/C17H17ClN2O2/c1-12(19-15-5-3-2-4-6-15)11-16(21)20-17(22)13-7-9-14(18)10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21,22) |
| InChIKey | XNTRPLNFYZDAQI-UHFFFAOYSA-N |
| Molecular Weight | 316.788 g/mol |
| SMILES | C(C=1C=CC(=CC1)Cl)(=O)NC(=O)CC(C)NC=1C=CC=CC1 |