| SpectraBase Compound ID | 4YphL9zWFpI |
|---|---|
| InChI | InChI=1S/C13H16N2O3/c1-10(16)9-12(17)15-13(18)14-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,15,17,18) |
| InChIKey | CDUZESMQTAXTKO-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C13H16N2O3 |
| Exact Mass | 248.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGJKRuIIguP |
|---|---|
| Name | 3-Keto-N-(phenethylcarbamoyl)butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.116092380 u |
| Formula | C13H16N2O3 |
| InChI | InChI=1S/C13H16N2O3/c1-10(16)9-12(17)15-13(18)14-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,15,17,18) |
| InChIKey | CDUZESMQTAXTKO-UHFFFAOYSA-N |
| Molecular Weight | 248.282 g/mol |
| SMILES | C(NCCC=1C=CC=CC1)(=O)NC(=O)CC(=O)C |