| SpectraBase Compound ID | 1x4DpPpKSP4 |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,1H3 |
| InChIKey | SHIFALBCZSVPPN-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFMETbFUlZ4 |
|---|---|
| Name | 3-cyanoisonicotinic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,1H3 |
| InChIKey | SHIFALBCZSVPPN-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41123M |
| Solvent | CDCl3 |