| SpectraBase Compound ID | GTjq0NH5r9 |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-7-8-9-10-11-12-13-14-15-25-20(23)19(18(4)5)22(6)21(24)26-16-17(2)3/h17-19H,7-16H2,1-6H3 |
| InChIKey | ZDIJRHRTMJSEBU-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 | 37yt5gCbs2D |
|---|---|
| Name | Valine, N-methyl-N-isobutoxycarbonyl-, decyl 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/c1-7-8-9-10-11-12-13-14-15-25-20(23)19(18(4)5)22(6)21(24)26-16-17(2)3/h17-19H,7-16H2,1-6H3 |
| InChIKey | ZDIJRHRTMJSEBU-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | CC(COC(N(C(C(OCCCCCCCCCC)=O)C(C)C)C)=O)C |