| SpectraBase Compound ID | 39Ba8emvaR5 |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-2-3-4-5-6-11-16-13(15)12-7-9-14-10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | MRYKDPMXKZAQTR-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zIeDpeQugu |
|---|---|
| Name | Isonicotinic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-2-3-4-5-6-11-16-13(15)12-7-9-14-10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | MRYKDPMXKZAQTR-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | CCCCCCCOC(C1=CC=NC=C1)=O |