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2,4-Bis(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidenemethylamino)toluene
SpectraBase Compound ID 21t0X2fODEU
InChI InChI=1S/C29H26N6O2/c1-19-14-15-22(30-17-25-20(2)32-34(28(25)36)23-10-6-4-7-11-23)16-27(19)31-18-26-21(3)33-35(29(26)37)24-12-8-5-9-13-24/h4-18,30-31H,1-3H3/b25-17-,26-18-
InChIKey RRMWZKLESODVMI-MFYXSQMNSA-N
Mol Weight 490.57 g/mol
Molecular Formula C29H26N6O2
Exact Mass 490.211724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PRH2Lr1zsh
Name 2,4-Bis(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidenemethylamino)toluene
Alternate Name(s) (4Z)-5-Methyl-4-[(2-methyl-5-([(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino)anilino)methylene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (4Z)-5-methyl-4-[[4-methyl-3-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]anilino]methylidene]-2-phenylpyrazol-3-one
CAS Registry Number 299200-27-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N6O2
InChI InChI=1S/C29H26N6O2/c1-19-14-15-22(30-17-25-20(2)32-34(28(25)36)23-10-6-4-7-11-23)16-27(19)31-18-26-21(3)33-35(29(26)37)24-12-8-5-9-13-24/h4-18,30-31H,1-3H3/b25-17-,26-18-
InChIKey RRMWZKLESODVMI-MFYXSQMNSA-N
Molecular Weight 490.567 g/mol
SMILES N(\C=C/1C(N(c2ccccc2)N=C1C)=O)c1cc(N\C=C/2C(N(c3ccccc3)N=C2C)=O)c(cc1)C
SPLASH splash10-000l-8910000000-45e8e50010b5bc735c41
Wiley ID 1468767