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4-Methyl-1,2-diphenyl-3,5-pyrazolidinedione
SpectraBase Compound ID 6jmlj4MKlw2
InChI InChI=1S/C16H14N2O2/c1-12-15(19)17(13-8-4-2-5-9-13)18(16(12)20)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey AZKXYFOKOJPKLQ-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C16H14N2O2
Exact Mass 266.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWvPVMKRNmS
Name 4-Methyl-1,2-diphenyl-3,5-pyrazolidinedione
CAS Registry Number 42391-32-2
Classification Pharmaceutical drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 266.105527697 u
Formula C16H14N2O2
InChI InChI=1S/C16H14N2O2/c1-12-15(19)17(13-8-4-2-5-9-13)18(16(12)20)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey AZKXYFOKOJPKLQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 266.300 g/mol
Nominal Mass 266 u
Quality 975
Retention Index 2113
SMILES C=1(N2N(C(C(C2=O)C)=O)C=2C=CC=CC2)C=CC=CC1
SPLASH splash10-00pi-9630000000-922786a43d0d1814ac95
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-methyl-1,2-diphenylpyrazolidine-3,5-dione
Technique GC/MS
Wiley ID DD2024_010459