| SpectraBase Compound ID | 3LGk1GXMmKM |
|---|---|
| InChI | InChI=1S/C10H19NO4/c1-5-6-15-10(13)11-8(7(2)3)9(12)14-4/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey | NSSPKNBDTUKWAZ-UHFFFAOYSA-N |
| Mol Weight | 217.26 g/mol |
| Molecular Formula | C10H19NO4 |
| Exact Mass | 217.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDQg6iFNvsi |
|---|---|
| Name | L-Valine, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.131408092 u |
| Formula | C10H19NO4 |
| InChI | InChI=1S/C10H19NO4/c1-5-6-15-10(13)11-8(7(2)3)9(12)14-4/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey | NSSPKNBDTUKWAZ-UHFFFAOYSA-N |
| Molecular Weight | 217.265 g/mol |
| SMILES | C(C(C(OC)=O)NC(OCCC)=O)(C)C |