| SpectraBase Compound ID | BWRXaroGzWO |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-6-7-17-12(15)13(4)10(8-9(2)3)11(14)16-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | LKNVVUXMQUPOKT-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 | ERpXVU8qkfI |
|---|---|
| Name | L-Leucine, N-methyl-N-(N-propyloxycarbonyl)-, methyl 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/c1-6-7-17-12(15)13(4)10(8-9(2)3)11(14)16-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | LKNVVUXMQUPOKT-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CC(CC(C(OC)=O)N(C)C(OCCC)=O)C |