| SpectraBase Compound ID | 144Fmawg2Dp |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-7-9-10-11-12-13-14-15-25-19(23)18(17(3)8-2)22-20(24)26-16-21(4,5)6/h17-18H,7-16H2,1-6H3,(H,22,24) |
| InChIKey | ASIYFROWVIRZNJ-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 | 5WXY4l9IDfj |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, nonyl 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/c1-7-9-10-11-12-13-14-15-25-19(23)18(17(3)8-2)22-20(24)26-16-21(4,5)6/h17-18H,7-16H2,1-6H3,(H,22,24) |
| InChIKey | ASIYFROWVIRZNJ-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | CCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |