| SpectraBase Compound ID | 8gahdRa4RTC |
|---|---|
| InChI | InChI=1S/C25H35NO2/c27-25(28-22-24-18-14-20-26-21-24)19-13-8-6-4-2-1-3-5-7-10-15-23-16-11-9-12-17-23/h9,11-12,14,16-18,20-21H,1-8,10,13,15,19,22H2 |
| InChIKey | KWZDOMMDWVORLG-UHFFFAOYSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C25H35NO2 |
| Exact Mass | 381.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hJWjo7hwdH |
|---|---|
| Name | Picolinyl 13-phenyl-tridecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.266779369 u |
| Formula | C25H35NO2 |
| InChI | InChI=1S/C25H35NO2/c27-25(28-22-24-18-14-20-26-21-24)19-13-8-6-4-2-1-3-5-7-10-15-23-16-11-9-12-17-23/h9,11-12,14,16-18,20-21H,1-8,10,13,15,19,22H2 |
| InChIKey | KWZDOMMDWVORLG-UHFFFAOYSA-N |
| Molecular Weight | 381.560 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCC1=CC=CC=C1 |