| SpectraBase Compound ID | JBgfZXXkpnf |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-6-7-8-17-11(14)10(9(2)3)13(4)12(15)16-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | MBUZFWQOQLBGDD-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGsfV73EHIS |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-6-7-8-17-11(14)10(9(2)3)13(4)12(15)16-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | MBUZFWQOQLBGDD-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | COC(N(C(C(C)C)C(OCCCC)=O)C)=O |