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Phenylbutazone
SpectraBase Compound ID DzMEtp3eahW
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
Mol Weight 308.38 g/mol
Molecular Formula C19H20N2O2
Exact Mass 308.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcPnk65iXtO
Name Phenylbutazone
CAS Registry Number 50-33-9
Classification Pharmaceutical drug, antirheumatic
Comments 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 999
Retention Index 2365
SMILES C1(N(N(C(C1CCCC)=O)C1=CC=CC=C1)C=1C=CC=CC1)=O
SPLASH splash10-001i-5901000000-93ce2ec943faae3f3446
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_012918