| SpectraBase Compound ID | EPT2Ca64WLc |
|---|---|
| InChI | InChI=1S/C23H37NO2/c1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h4,6,14,16,18-19,21H,3,5,7-13,15,17,20H2,1-2H3/b6-4- |
| InChIKey | NQEMBANWAQUEGC-XQRVVYSFSA-N |
| Mol Weight | 359.6 g/mol |
| Molecular Formula | C23H37NO2 |
| Exact Mass | 359.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BR4Yg2kyLC |
|---|---|
| Name | Picolinyl 15-methyl-hexadec-9-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.282429433 u |
| Formula | C23H37NO2 |
| InChI | InChI=1S/C23H37NO2/c1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h4,6,14,16,18-19,21H,3,5,7-13,15,17,20H2,1-2H3/b6-4- |
| InChIKey | NQEMBANWAQUEGC-XQRVVYSFSA-N |
| Molecular Weight | 359.554 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCC\C=C/CCCCC(C)C)=O |