![3-keto-N-[(1R)-1-methylpropyl]butyramide](/api/spectrum/CqbDipoWn9B/structure.png?h=300&w=458 "3-keto-N-[(1R)-1-methylpropyl]butyramide")
| SpectraBase Compound ID | L3BMcW98rzI |
|---|---|
| InChI | InChI=1S/C8H15NO2/c1-4-6(2)9-8(11)5-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1 |
| InChIKey | CTOICXZEEXECEK-ZCFIWIBFSA-N |
| Mol Weight | 157.21 g/mol |
| Molecular Formula | C8H15NO2 |
| Exact Mass | 157.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqbDipoWn9B |
|---|---|
| Name | 3-Keto-N-[(1R)-1-methylpropyl]butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.110278725 u |
| Formula | C8H15NO2 |
| InChI | InChI=1S/C8H15NO2/c1-4-6(2)9-8(11)5-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m1/s1 |
| InChIKey | CTOICXZEEXECEK-ZCFIWIBFSA-N |
| Molecular Weight | 157.213 g/mol |
| SMILES | C(CC(=O)C)(N[C@@](CC)(C)[H])=O |