| SpectraBase Compound ID | 2bAVimDB56C |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22(25)21(20(2)3)24(4)23(26)27-5/h20-21H,6-19H2,1-5H3 |
| InChIKey | XIOHAFZZMPXASJ-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 | 4Sc9vN66WY4 |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, pentadecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22(25)21(20(2)3)24(4)23(26)27-5/h20-21H,6-19H2,1-5H3 |
| InChIKey | XIOHAFZZMPXASJ-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | COC(N(C(C(OCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |