| SpectraBase Compound ID | BiBy4BhEwGa |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-6-8-10-11-13-22-17(20)18(5)15(14(3)4)16(19)21-12-9-7-2/h14-15H,6-13H2,1-5H3 |
| InChIKey | ZYHNTLOFHXOUSL-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RA7fxtlpl3 |
|---|---|
| Name | dl-Valine, N-methyl-N-hexyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-6-8-10-11-13-22-17(20)18(5)15(14(3)4)16(19)21-12-9-7-2/h14-15H,6-13H2,1-5H3 |
| InChIKey | ZYHNTLOFHXOUSL-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | C(C(C(OCCCC)=O)N(C)C(=O)OCCCCCC)(C)C |