| 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 | F0XvVUeWBd1 |
|---|---|
| Name | Nicotinic acid |
| Alternate Name(s) | 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 |
| Ionization Type | EI-B |
| Molecular Weight | 123.111 g/mol |
| SMILES | OC(=O)c1cccnc1 |
| SPLASH | splash10-0kmi-7900000000-742fe5c5cc4ba33630fd |
| Source of Spectrum | SRH-2022-5708-0 |
| Wiley ID | 1827733 |