| SpectraBase Compound ID | 2oJiCqzaM9B |
|---|---|
| InChI | InChI=1S/C18H20N2O3/c1-2-13-19(14-12-15-6-4-3-5-7-15)18(21)16-8-10-17(11-9-16)20(22)23/h3-11H,2,12-14H2,1H3 |
| InChIKey | DTLTVHHSXJFBGB-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C18H20N2O3 |
| Exact Mass | 312.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UwMhCFfEiZ |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-phenylethyl)-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.147392509 u |
| Formula | C18H20N2O3 |
| InChI | InChI=1S/C18H20N2O3/c1-2-13-19(14-12-15-6-4-3-5-7-15)18(21)16-8-10-17(11-9-16)20(22)23/h3-11H,2,12-14H2,1H3 |
| InChIKey | DTLTVHHSXJFBGB-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)N(=O)=O)CCC |