| SpectraBase Compound ID | BLo1O4GOLTB |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c9-3-5-12-8(11)7-2-1-4-10-6-7/h1-2,4,6H,5H2 |
| InChIKey | PPNCJJLLRMIDII-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GRa9yH4b1d1 |
|---|---|
| Name | Nicotinic acid, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.042927439 u |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c9-3-5-12-8(11)7-2-1-4-10-6-7/h1-2,4,6H,5H2 |
| InChIKey | PPNCJJLLRMIDII-UHFFFAOYSA-N |
| Molecular Weight | 162.148 g/mol |
| SMILES | C=1C(=CN=CC1)C(OCC#N)=O |