| SpectraBase Compound ID | AhEcGrJ0sn9 |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-6-8-10-12-13-15-16-25-20(23)19(18(3)4)22(5)21(24)26-17-14-11-9-7-2/h18-19H,6-17H2,1-5H3 |
| InChIKey | XWGWNGYFKPOTAW-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33ifK0CXqbc |
|---|---|
| Name | dl-Valine, N-methyl-N-hexyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-6-8-10-12-13-15-16-25-20(23)19(18(3)4)22(5)21(24)26-17-14-11-9-7-2/h18-19H,6-17H2,1-5H3 |
| InChIKey | XWGWNGYFKPOTAW-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)N(C)C(=O)OCCCCCC)(C)C |