| SpectraBase Compound ID | DaFF6P0kswA |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-6-7-8-9-10-21-15(18)14(13(2)3)17(4)16(19)22-12-11-20-5/h13-14H,6-12H2,1-5H3 |
| InChIKey | TXXSOIRRYPTYRG-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C16H31NO5 |
| Exact Mass | 317.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15NZpfrofD5 |
|---|---|
| Name | Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.220223097 u |
| Formula | C16H31NO5 |
| InChI | InChI=1S/C16H31NO5/c1-6-7-8-9-10-21-15(18)14(13(2)3)17(4)16(19)22-12-11-20-5/h13-14H,6-12H2,1-5H3 |
| InChIKey | TXXSOIRRYPTYRG-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | COCCOC(N(C(C(C)C)C(OCCCCCC)=O)C)=O |