| SpectraBase Spectrum ID |
FLBN5arvfRW |
| Name |
4-Pyridinecarboxylic acid |
| CAS Registry Number |
55-22-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
123.032028403 u |
| Formula |
C6H5NO2 |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9) |
| InChIKey |
TWBYWOBDOCUKOW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
123.111 g/mol |
| Nominal Mass |
123 u |
| Quality |
861 |
| Retention Index |
962 |
| SMILES |
OC(C=1C=CN=CC1)=O |
| SPLASH |
splash10-0fk9-9800000000-cf2420d9d7d86959dfa5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
pyridine-4-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025648 |
