| SpectraBase Compound ID | IoKQQGEYWMx |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-5-8-9-10-11-12-13-14-15-16-17-19-27-22(25)21(20(4)7-3)24-23(26)28-18-6-2/h20-21H,5-19H2,1-4H3,(H,24,26) |
| InChIKey | JMYWKJDKNYYACL-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C23H45NO4 |
| Exact Mass | 399.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hqJMnmAAqv |
|---|---|
| Name | L-Isoleucine, N-propoxycarbonyl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.334858929 u |
| Formula | C23H45NO4 |
| InChI | InChI=1S/C23H45NO4/c1-5-8-9-10-11-12-13-14-15-16-17-19-27-22(25)21(20(4)7-3)24-23(26)28-18-6-2/h20-21H,5-19H2,1-4H3,(H,24,26) |
| InChIKey | JMYWKJDKNYYACL-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CCCOC(NC(C(CC)C)C(OCCCCCCCCCCCCC)=O)=O |