| SpectraBase Compound ID | BnzHPTHwZIV |
|---|---|
| InChI | InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-12-14-20(13-4-2)24-21(23)19-15-17-22-18-16-19/h15-18,20H,3-14H2,1-2H3 |
| InChIKey | RKGJUVXYWRNHRX-UHFFFAOYSA-N |
| Mol Weight | 333.5 g/mol |
| Molecular Formula | C21H35NO2 |
| Exact Mass | 333.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50L6AGYAtRe |
|---|---|
| Name | Isonicotinic acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.266779369 u |
| Formula | C21H35NO2 |
| InChI | InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-12-14-20(13-4-2)24-21(23)19-15-17-22-18-16-19/h15-18,20H,3-14H2,1-2H3 |
| InChIKey | RKGJUVXYWRNHRX-UHFFFAOYSA-N |
| Molecular Weight | 333.516 g/mol |
| SMILES | CCCCCCCCCCCC(OC(C1=CC=NC=C1)=O)CCC |