| SpectraBase Compound ID | E1CqUz3z3CZ |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-8-9-12(13(18)20-10-15(2,3)4)17-14(19)21-11-16(5,6)7/h12H,8-11H2,1-7H3,(H,17,19) |
| InChIKey | AAUYSPUWULXVID-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZtIfAN7NnM |
|---|---|
| Name | L-Norvaline, N-neopentyloxycarbonyl-, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-8-9-12(13(18)20-10-15(2,3)4)17-14(19)21-11-16(5,6)7/h12H,8-11H2,1-7H3,(H,17,19) |
| InChIKey | AAUYSPUWULXVID-UHFFFAOYSA-N |
| SMILES | CC(COC(NC(C(OCC(C)(C)C)=O)CCC)=O)(C)C |