| SpectraBase Spectrum ID |
GVuHXVHXvkG |
| Name |
Phenylbutazone |
| CAS Registry Number |
50-33-9 |
| Classification |
Pharmaceutical drug, antirheumatic |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
308.152477890 u |
| Formula |
C19H20N2O2 |
| InChI |
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 |
| InChIKey |
VYMDGNCVAMGZFE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
308.381 g/mol |
| Nominal Mass |
308 u |
| Quality |
980 |
| Retention Index |
2365 |
| SMILES |
C1(N(N(C(C1CCCC)=O)C1=CC=CC=C1)C=1C=CC=CC1)=O |
| SPLASH |
splash10-001i-6901000000-599ba9c41f05f113b4b1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diphenyl-butazon
Fenibutazona
Fenilbutazone
Fenylbutason
Fenylbutazon
4-Butyl-1,2-diphenyl-pyrazolidine-3,5-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003582 |
