| SpectraBase Compound ID | DXUEQYUt834 |
|---|---|
| InChI | InChI=1S/C18H33NO4/c1-6-8-9-10-11-12-14-22-17(20)16(15(3)4)19(5)18(21)23-13-7-2/h7,15-16H,2,6,8-14H2,1,3-5H3 |
| InChIKey | KSXLVRYHTXPSMG-UHFFFAOYSA-N |
| Mol Weight | 327.5 g/mol |
| Molecular Formula | C18H33NO4 |
| Exact Mass | 327.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqqnEjIDBHH |
|---|---|
| Name | Valine, N-methyl-N-allyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.240958543 u |
| Formula | C18H33NO4 |
| InChI | InChI=1S/C18H33NO4/c1-6-8-9-10-11-12-14-22-17(20)16(15(3)4)19(5)18(21)23-13-7-2/h7,15-16H,2,6,8-14H2,1,3-5H3 |
| InChIKey | KSXLVRYHTXPSMG-UHFFFAOYSA-N |
| Molecular Weight | 327.465 g/mol |
| SMILES | C=CCOC(N(C(C(OCCCCCCCC)=O)C(C)C)C)=O |