| SpectraBase Compound ID | 3wyRkfAejId |
|---|---|
| InChI | InChI=1S/C21H26ClNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3 |
| InChIKey | VHDMIXIXUZTHPG-UHFFFAOYSA-N |
| Mol Weight | 343.9 g/mol |
| Molecular Formula | C21H26ClNO |
| Exact Mass | 343.170292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BL9WlzfKX6 |
|---|---|
| Name | Benzamide, 4-chloro-N-benzyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.170292160 u |
| Formula | C21H26ClNO |
| InChI | InChI=1S/C21H26ClNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3 |
| InChIKey | VHDMIXIXUZTHPG-UHFFFAOYSA-N |
| Molecular Weight | 343.898 g/mol |
| SMILES | C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Cl |