| SpectraBase Compound ID | GwSEL8ZiJ1J |
|---|---|
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p+1 |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-O |
| Mol Weight | 124.12 g/mol |
| Molecular Formula | C6H6NO2 |
| Exact Mass | 124.039853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67vJMAuqF1l |
|---|---|
| Name | Nicotinic acid, cation |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H6NO2 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p+1 |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-O |
| Instrument Name | Bruker HX-270 |
| Literature Reference | L.M. Schwartz, G.I. Gelb, D.A.Laufer, J. Chem. Soc. Perkin II 1987, 453. |
| NMR Standard | TMS Ext. |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |