| SpectraBase Spectrum ID |
5YqPOyAEUt6 |
| Name |
Nicotinamide |
| CAS Registry Number |
98-92-0 |
| Classification |
Pharmaceutical drug, antipellagra agent |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
122.048012820 u |
| Formula |
C6H6N2O |
| InChI |
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) |
| InChIKey |
DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
122.127 g/mol |
| Nominal Mass |
122 u |
| Quality |
987 |
| Retention Index |
1436 |
| SMILES |
NC(C=1C=NC=CC1)=O |
| SPLASH |
splash10-05fr-5900000000-3ceed994fdb92e288602 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Niacinamid
Nicotinamid
Nicotinsaeureamid
Pyridine-3-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031045 |
