| SpectraBase Compound ID | KK21pPJYZpv |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-6-8-10-12-14-15-24-19(22)18(17(3)4)21(5)20(23)25-16-13-11-9-7-2/h17-18H,6-16H2,1-5H3 |
| InChIKey | OAYAOBRHYIVBCU-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51owq7GvZfd |
|---|---|
| Name | dl-Valine, N-methyl-N-hexyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-6-8-10-12-14-15-24-19(22)18(17(3)4)21(5)20(23)25-16-13-11-9-7-2/h17-18H,6-16H2,1-5H3 |
| InChIKey | OAYAOBRHYIVBCU-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)N(C)C(=O)OCCCCCC)(C)C |