| SpectraBase Compound ID | 4t4xxBTUYv2 |
|---|---|
| InChI | InChI=1S/C19H31NO2/c1-3-5-6-7-8-9-10-11-12-18(4-2)22-19(21)17-13-15-20-16-14-17/h13-16,18H,3-12H2,1-2H3 |
| InChIKey | MSBNJISNEPDFJJ-UHFFFAOYSA-N |
| Mol Weight | 305.46 g/mol |
| Molecular Formula | C19H31NO2 |
| Exact Mass | 305.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0taUXAWGnw |
|---|---|
| Name | Isonicotinic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.235479240 u |
| Formula | C19H31NO2 |
| InChI | InChI=1S/C19H31NO2/c1-3-5-6-7-8-9-10-11-12-18(4-2)22-19(21)17-13-15-20-16-14-17/h13-16,18H,3-12H2,1-2H3 |
| InChIKey | MSBNJISNEPDFJJ-UHFFFAOYSA-N |
| Molecular Weight | 305.462 g/mol |
| SMILES | CCCCCCCCCCC(OC(C1=CC=NC=C1)=O)CC |