| SpectraBase Compound ID | HctkpiOC1VC |
|---|---|
| InChI | InChI=1S/2C6H5NO3.2Na.H2O/c2*8-6(9)5-1-3-7(10)4-2-5;;;/h2*1-4H,(H,8,9);;;1H2/q;;2*+1;/p-2/i/hD |
| InChIKey | AJHRQNSETLJKKL-DYCDLGHISA-L |
| Mol Weight | 341.20464034 g/mol |
| Molecular Formula | C12H92HN2Na2O7 |
| Exact Mass | 341.034616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YdknZnD6xk |
|---|---|
| Name | ISONICOTINIC ACID, 1-OXIDE |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5NO3 |
| InChI | InChI=1S/2C6H5NO3.2Na.H2O/c2*8-6(9)5-1-3-7(10)4-2-5;;;/h2*1-4H,(H,8,9);;;1H2/q;;2*+1;/p-2/i/hD |
| InChIKey | AJHRQNSETLJKKL-DYCDLGHISA-L |
| Melting Point | 270-271C |
| Molecular Weight | 139.11 |
| Solvent | Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |