| SpectraBase Compound ID | BA5coLYDHqT |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-7-9-14(15(19)21-11-8-10-13(2)3)18-16(20)22-12-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,20) |
| InChIKey | RDGRKBFLZNFDAG-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 | 7TsGkCawV3j |
|---|---|
| Name | L-Norvaline, N-neopentyloxycarbonyl-, isohexyl 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/c1-7-9-14(15(19)21-11-8-10-13(2)3)18-16(20)22-12-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,20) |
| InChIKey | RDGRKBFLZNFDAG-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CC(COC(NC(C(OCCCC(C)C)=O)CCC)=O)(C)C |