| SpectraBase Compound ID | BjlMA68RszY |
|---|---|
| InChI | InChI=1S/C19H22N2O2/c1-15-8-7-12-17(14-15)21-19(23)18(22)20-13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,20,22)(H,21,23) |
| InChIKey | GXBIBDWMAOFCCB-UHFFFAOYSA-N |
| Mol Weight | 310.4 g/mol |
| Molecular Formula | C19H22N2O2 |
| Exact Mass | 310.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PWoOR5iN2C |
|---|---|
| Name | Ethanediamide, N~1~-(3-methylphenyl)-N~2~-(4-phenylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.168127954 u |
| Formula | C19H22N2O2 |
| InChI | InChI=1S/C19H22N2O2/c1-15-8-7-12-17(14-15)21-19(23)18(22)20-13-6-5-11-16-9-3-2-4-10-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,20,22)(H,21,23) |
| InChIKey | GXBIBDWMAOFCCB-UHFFFAOYSA-N |
| Molecular Weight | 310.397 g/mol |
| SMILES | N(C(C(NC=1C=C(C)C=CC1)=O)=O)CCCCC=1C=CC=CC1 |