![N~1~-[2-(4-chlorophenyl)ethyl]-N~2~-isopropylethanediamide](/api/spectrum/KaV2v43t9YM/structure.png?h=300&w=458 "N~1~-[2-(4-chlorophenyl)ethyl]-N~2~-isopropylethanediamide")
| SpectraBase Compound ID | 7nfUPsizxkl |
|---|---|
| InChI | InChI=1S/C13H17ClN2O2/c1-9(2)16-13(18)12(17)15-8-7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | DOCPFYZRWRPAFV-UHFFFAOYSA-N |
| Mol Weight | 268.74 g/mol |
| Molecular Formula | C13H17ClN2O2 |
| Exact Mass | 268.097855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaV2v43t9YM |
|---|---|
| Name | N~1~-[2-(4-Chlorophenyl)ethyl]-N~2~-isopropylethanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.097855493 u |
| Formula | C13H17ClN2O2 |
| InChI | InChI=1S/C13H17ClN2O2/c1-9(2)16-13(18)12(17)15-8-7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | DOCPFYZRWRPAFV-UHFFFAOYSA-N |
| Molecular Weight | 268.744 g/mol |
| SMILES | N(C(C(NC(C)C)=O)=O)CCC1=CC=C(C=C1)Cl |