| SpectraBase Compound ID | KOpdjocUtR1 |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-7-8-11-22-17(20)18(6)15(14(4)5)16(19)21-12-9-10-13(2)3/h13-15H,7-12H2,1-6H3 |
| InChIKey | UPUJNTBTVSMWCV-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 | JhnHRxoxk5m |
|---|---|
| Name | Valine, N-methyl-N-butoxycarbonyl-, 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/c1-7-8-11-22-17(20)18(6)15(14(4)5)16(19)21-12-9-10-13(2)3/h13-15H,7-12H2,1-6H3 |
| InChIKey | UPUJNTBTVSMWCV-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCCCOC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O |