| SpectraBase Spectrum ID |
LB9nbWUXc1X |
| Name |
Pyrazinamide |
| CAS Registry Number |
98-96-4 |
| Classification |
Pharmaceutical drug, tuberculostatic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
123.043261792 u |
| Formula |
C5H5N3O |
| InChI |
InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) |
| InChIKey |
IPEHBUMCGVEMRF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
123.115 g/mol |
| Nominal Mass |
123 u |
| Quality |
990 |
| Retention Index |
1250 |
| SMILES |
NC(C1=NC=CN=C1)=O |
| SPLASH |
splash10-0ul0-9300000000-76797ce1c3a082f943e5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pyrazine-2-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019288 |
