| SpectraBase Compound ID | 1s9pYv89yEx |
|---|---|
| InChI | InChI=1S/C23H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h1,16-17,19-20H,3-4,7-15,18,21H2 |
| InChIKey | VACFLARGICLQCJ-UHFFFAOYSA-N |
| Mol Weight | 353.51 g/mol |
| Molecular Formula | C23H31NO2 |
| Exact Mass | 353.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IXzfdO5Nh9l |
|---|---|
| Name | Picolinyl 12,16-heptadecadiynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.235479240 u |
| Formula | C23H31NO2 |
| InChI | InChI=1S/C23H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h1,16-17,19-20H,3-4,7-15,18,21H2 |
| InChIKey | VACFLARGICLQCJ-UHFFFAOYSA-N |
| Molecular Weight | 353.506 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCC#CCCC#C)=O |