| SpectraBase Compound ID | 1F94qEEvAP |
|---|---|
| InChI | InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23)24-19-20-15-14-17-22-18-20/h10-11,14-15,17-18H,2-9,12-13,16,19H2,1H3/b11-10- |
| InChIKey | YXXYHNJVMUDDJF-KHPPLWFESA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C21H33NO2 |
| Exact Mass | 331.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZmeoBkA1B8 |
|---|---|
| Name | Picolinyl 5-pentadecenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.251129305 u |
| Formula | C21H33NO2 |
| InChI | InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23)24-19-20-15-14-17-22-18-20/h10-11,14-15,17-18H,2-9,12-13,16,19H2,1H3/b11-10- |
| InChIKey | YXXYHNJVMUDDJF-KHPPLWFESA-N |
| Molecular Weight | 331.500 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)C\C=C/CCCCCCCCC |