| SpectraBase Compound ID | BynHruSy5v1 |
|---|---|
| InChI | InChI=1S/C16H30N2O5/c1-9(2)8-12(17-16(21)23-11(5)6)14(19)18-13(10(3)4)15(20)22-7/h9-13H,8H2,1-7H3,(H,17,21)(H,18,19) |
| InChIKey | BHKCGYICDMVYOK-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C16H30N2O5 |
| Exact Mass | 330.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xJZv2UGVWQ |
|---|---|
| Name | leu-val, N-(Isopropyloxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.215472069 u |
| Formula | C16H30N2O5 |
| InChI | InChI=1S/C16H30N2O5/c1-9(2)8-12(17-16(21)23-11(5)6)14(19)18-13(10(3)4)15(20)22-7/h9-13H,8H2,1-7H3,(H,17,21)(H,18,19) |
| InChIKey | BHKCGYICDMVYOK-UHFFFAOYSA-N |
| Molecular Weight | 330.425 g/mol |
| SMILES | C(C(CC(C)C)NC(OC(C)C)=O)(=O)NC(C(=O)OC)C(C)C |