| SpectraBase Compound ID | 9HoVUJgPOJA |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15-11-12/h9-11H,2-8H2,1H3,(H,16,17) |
| InChIKey | TVASHDLWKCMJDO-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOvnIu9Gjcy |
|---|---|
| Name | Picolinic acid, 5-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15-11-12/h9-11H,2-8H2,1H3,(H,16,17) |
| InChIKey | TVASHDLWKCMJDO-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C1(=CC=C(C=N1)CCCCCCCC)C(=O)O |