![3-keto-N-[(1R)-1-methylhexyl]butyramide](/api/spectrum/Lg1Gf5ZHuqC/structure.png?h=300&w=458 "3-keto-N-[(1R)-1-methylhexyl]butyramide")
| SpectraBase Compound ID | GleAab4bDEA |
|---|---|
| InChI | InChI=1S/C11H21NO2/c1-4-5-6-7-9(2)12-11(14)8-10(3)13/h9H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1 |
| InChIKey | URVBQDNZSDNGSF-SECBINFHSA-N |
| Mol Weight | 199.29 g/mol |
| Molecular Formula | C11H21NO2 |
| Exact Mass | 199.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lg1Gf5ZHuqC |
|---|---|
| Name | 3-Keto-N-[(1R)-1-methylhexyl]butyramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.157228918 u |
| Formula | C11H21NO2 |
| InChI | InChI=1S/C11H21NO2/c1-4-5-6-7-9(2)12-11(14)8-10(3)13/h9H,4-8H2,1-3H3,(H,12,14)/t9-/m1/s1 |
| InChIKey | URVBQDNZSDNGSF-SECBINFHSA-N |
| Molecular Weight | 199.294 g/mol |
| SMILES | C(CC(=O)C)(N[C@@](CCCCC)(C)[H])=O |