| SpectraBase Compound ID | AqtUu7Rz6Rb |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-12(2)8-7-9-21-15(18)14(13(3)4)17(5)16(19)22-11-10-20-6/h12-14H,7-11H2,1-6H3 |
| InChIKey | XSDLDLQTGWRHNH-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 | DzOOmwuBzG1 |
|---|---|
| Name | Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, isohexyl 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/c1-12(2)8-7-9-21-15(18)14(13(3)4)17(5)16(19)22-11-10-20-6/h12-14H,7-11H2,1-6H3 |
| InChIKey | XSDLDLQTGWRHNH-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | COCCOC(N(C(C(C)C)C(OCCCC(C)C)=O)C)=O |