| SpectraBase Compound ID | GipTM4gfb8S |
|---|---|
| InChI | InChI=1S/C21H35NO2/c1-19(2)13-10-8-6-4-3-5-7-9-11-15-21(23)24-18-20-14-12-16-22-17-20/h12,14,16-17,19H,3-11,13,15,18H2,1-2H3 |
| InChIKey | BUKLOFCVJAEHLP-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 | 3TDD0xV4zON |
|---|---|
| Name | Picolinyl 13-methyltetradecanoate |
| 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/c1-19(2)13-10-8-6-4-3-5-7-9-11-15-21(23)24-18-20-14-12-16-22-17-20/h12,14,16-17,19H,3-11,13,15,18H2,1-2H3 |
| InChIKey | BUKLOFCVJAEHLP-UHFFFAOYSA-N |
| Molecular Weight | 333.516 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCCC(C)C)=O |