| SpectraBase Compound ID | JmeTGkkzp5k |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-7-9-10-11-12-13-14-15-16-26-20(24)19(18(3)8-2)23-21(25)27-17-22(4,5)6/h18-19H,7-17H2,1-6H3,(H,23,25) |
| InChIKey | OAIKPXDIVAGKQE-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0rpqY6aCyt |
|---|---|
| Name | L-Isoleucine, N-neopentyloxycarbonyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-7-9-10-11-12-13-14-15-16-26-20(24)19(18(3)8-2)23-21(25)27-17-22(4,5)6/h18-19H,7-17H2,1-6H3,(H,23,25) |
| InChIKey | OAIKPXDIVAGKQE-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |