| SpectraBase Compound ID | 9FkwaJaybOD |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-5-6-7-8-10(14)13-11(9(2)3)12(15)16-4/h9,11H,5-8H2,1-4H3,(H,13,14) |
| InChIKey | XFEUHQYGLOQDDX-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeCzDYLkqxt |
|---|---|
| Name | L-Valine, N-caproyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-5-6-7-8-10(14)13-11(9(2)3)12(15)16-4/h9,11H,5-8H2,1-4H3,(H,13,14) |
| InChIKey | XFEUHQYGLOQDDX-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C(C)(C(C(OC)=O)NC(=O)CCCCC)C |