| SpectraBase Compound ID | GwSEeUk12pp |
|---|---|
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Mol Weight | 123.11 g/mol |
| Molecular Formula | C6H5NO2 |
| Exact Mass | 123.032028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EIxI0SK5gao |
|---|---|
| Name | Niacin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5NO2 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| InChIKey | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Molecular Weight | 123.111 g/mol |
| SMILES | OC(c1cccnc1)=O |
| SPLASH | splash10-0kor-9800000000-4343d8e4fafd854c72fe |
| Source of Spectrum | SWG-33-3020-0 |
| Synonyms | Nicotinic Acid Vitamin B3 Pyridine-3-carboxylic acid |
| Wiley ID | 1809995 |