| SpectraBase Compound ID | kKZhk58RlF |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h7,12-14H,1,8-11H2,2-6H3 |
| InChIKey | ZHQUNUCNBARJIO-UHFFFAOYSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C16H29NO4 |
| Exact Mass | 299.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTaNNFUwmtS |
|---|---|
| Name | Valine, N-methyl-N-allyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.209658414 u |
| Formula | C16H29NO4 |
| InChI | InChI=1S/C16H29NO4/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h7,12-14H,1,8-11H2,2-6H3 |
| InChIKey | ZHQUNUCNBARJIO-UHFFFAOYSA-N |
| SMILES | C=CCOC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O |