| SpectraBase Compound ID | ITPDKt3jUO |
|---|---|
| InChI | InChI=1S/C17H33NO5/c1-6-7-8-9-10-11-22-16(19)15(14(2)3)18(4)17(20)23-13-12-21-5/h14-15H,6-13H2,1-5H3 |
| InChIKey | LRAZHAIZWIYSRK-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C17H33NO5 |
| Exact Mass | 331.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZWVJqBPc1F |
|---|---|
| Name | Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.235873162 u |
| Formula | C17H33NO5 |
| InChI | InChI=1S/C17H33NO5/c1-6-7-8-9-10-11-22-16(19)15(14(2)3)18(4)17(20)23-13-12-21-5/h14-15H,6-13H2,1-5H3 |
| InChIKey | LRAZHAIZWIYSRK-UHFFFAOYSA-N |
| Molecular Weight | 331.453 g/mol |
| SMILES | COCCOC(N(C(C(C)C)C(OCCCCCCC)=O)C)=O |