| SpectraBase Compound ID | 931aNzYIJhg |
|---|---|
| InChI | InChI=1S/C20H39NO3/c1-4-5-6-13-16-19(21-24-3)17-14-11-9-7-8-10-12-15-18-20(22)23-2/h4-18H2,1-3H3/b21-19- |
| InChIKey | CMELMZQEEHLOQH-VZCXRCSSSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C20H39NO3 |
| Exact Mass | 341.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ofc1VF89mU |
|---|---|
| Name | Methyl 12-oxo-octadecanoate - oxime derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.292994117 u |
| Formula | C20H39NO3 |
| InChI | InChI=1S/C20H39NO3/c1-4-5-6-13-16-19(21-24-3)17-14-11-9-7-8-10-12-15-18-20(22)23-2/h4-18H2,1-3H3/b21-19- |
| InChIKey | CMELMZQEEHLOQH-VZCXRCSSSA-N |
| Molecular Weight | 341.536 g/mol |
| SMILES | C(C\C(CCCCCCCCCCC(=O)OC)=N\OC)CCCC |