| SpectraBase Compound ID | 9gpeimqBu1z |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-8-12(4)13(14(18)20-9-11(2)3)17-15(19)21-10-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19) |
| InChIKey | OAGRSUPAOXKNGB-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 | EfE5wRw0JYs |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, isobutyl 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/c1-8-12(4)13(14(18)20-9-11(2)3)17-15(19)21-10-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19) |
| InChIKey | OAGRSUPAOXKNGB-UHFFFAOYSA-N |
| SMILES | C(NC(OCC(C)(C)C)=O)(C(OCC(C)C)=O)C(C)CC |