| SpectraBase Compound ID | Ah2fVjx6MBf |
|---|---|
| InChI | InChI=1S/C16H16N2O3/c1-17(12-11-13-5-3-2-4-6-13)16(19)14-7-9-15(10-8-14)18(20)21/h2-10H,11-12H2,1H3 |
| InChIKey | XNOWAOHNWYIHCK-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C16H16N2O3 |
| Exact Mass | 284.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Wj2Kb7dlIi |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-phenylethyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.116092380 u |
| Formula | C16H16N2O3 |
| InChI | InChI=1S/C16H16N2O3/c1-17(12-11-13-5-3-2-4-6-13)16(19)14-7-9-15(10-8-14)18(20)21/h2-10H,11-12H2,1H3 |
| InChIKey | XNOWAOHNWYIHCK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)N(=O)=O)C |