| SpectraBase Compound ID | 1LcaNot3YWr |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-7-8-9-20-14(18)13(10-12(2)3)17-15(19)21-11-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,19) |
| InChIKey | VZZGFXWMGKDKFF-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 | IkNW9Hv9xzo |
|---|---|
| Name | L-Leucine, N-neopentyloxycarbonyl-, butyl 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/c1-7-8-9-20-14(18)13(10-12(2)3)17-15(19)21-11-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,19) |
| InChIKey | VZZGFXWMGKDKFF-UHFFFAOYSA-N |
| SMILES | CC(COC(NC(C(OCCCC)=O)CC(C)C)=O)(C)C |