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Oxyphenbutazone 2ME
SpectraBase Compound ID CPQimnkuPTi
InChI InChI=1S/C21H24N2O3/c1-4-5-11-19-20(24)22(16-9-7-6-8-10-16)23(21(19)26-3)17-12-14-18(25-2)15-13-17/h6-10,12-15H,4-5,11H2,1-3H3
InChIKey BAMWJBYBAKIYSU-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UrzdVCfYRM
Name Oxyphenbutazone 2ME
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 352.178692638 u
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-4-5-11-19-20(24)22(16-9-7-6-8-10-16)23(21(19)26-3)17-12-14-18(25-2)15-13-17/h6-10,12-15H,4-5,11H2,1-3H3
InChIKey BAMWJBYBAKIYSU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.434 g/mol
Nominal Mass 352 u
Quality 934
Retention Index 2761
SMILES C1(N(N(C(=C1CCCC)OC)C=1C=CC(=CC1)OC)C1=CC=CC=C1)=O
SPLASH splash10-0nmi-6943000000-80ad9044acf516202c2e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-butyl-5-methoxy-1-(4-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Technique GC/MS
Wiley ID DD2024_003469