| SpectraBase Compound ID | H77N7DXpASX |
|---|---|
| InChI | InChI=1S/C20H33NO3/c1-17(16-24-18(2)22)9-4-3-5-12-20(23)13-7-6-10-19-11-8-14-21-15-19/h8,11,14-15,17,20,23H,3-7,9-10,12-13,16H2,1-2H3 |
| InChIKey | KXAJXMSXUCTQMC-UHFFFAOYSA-N |
| Mol Weight | 335.5 g/mol |
| Molecular Formula | C20H33NO3 |
| Exact Mass | 335.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eu5phxjBTjA |
|---|---|
| Name | (2-Methyl-8-oxidanyl-12-pyridin-3-yl-dodecyl) ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.246043924 u |
| Formula | C20H33NO3 |
| InChI | InChI=1S/C20H33NO3/c1-17(16-24-18(2)22)9-4-3-5-12-20(23)13-7-6-10-19-11-8-14-21-15-19/h8,11,14-15,17,20,23H,3-7,9-10,12-13,16H2,1-2H3 |
| InChIKey | KXAJXMSXUCTQMC-UHFFFAOYSA-N |
| Molecular Weight | 335.488 g/mol |
| SMILES | C(=O)(OCC(CCCCCC(O)CCCCC=1C=NC=CC1)C)C |