| SpectraBase Compound ID | HcJMAPOMP1K |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-6-8-9-10-11-12-21-15(18)14(13(3)4)17(5)16(19)20-7-2/h13-14H,6-12H2,1-5H3 |
| InChIKey | PKTDBEUYYABSIS-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 | 8xk7WcZt8Uk |
|---|---|
| Name | Valine, N-methyl-N-ethoxycarbonyl-, heptyl 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/c1-6-8-9-10-11-12-21-15(18)14(13(3)4)17(5)16(19)20-7-2/h13-14H,6-12H2,1-5H3 |
| InChIKey | PKTDBEUYYABSIS-UHFFFAOYSA-N |
| SMILES | CCOC(N(C(C(OCCCCCCC)=O)C(C)C)C)=O |