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2-Pyrazolin-5-one, 4-[[2-chloro-4-(dimethylamino)phenyl]imino]-3-methyl-1-phenyl-
SpectraBase Compound ID 5PwGJQ2NSPu
InChI InChI=1S/C18H17ClN4O/c1-12-17(18(24)23(21-12)13-7-5-4-6-8-13)20-16-10-9-14(22(2)3)11-15(16)19/h4-11H,1-3H3/b20-17+
InChIKey JZINRNDVFLNOJU-LVZFUZTISA-N
Mol Weight 340.81 g/mol
Molecular Formula C18H17ClN4O
Exact Mass 340.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y1aJU0Euu
Name 2-Pyrazolin-5-one, 4-[[2-chloro-4-(dimethylamino)phenyl]imino]-3-methyl-1-phenyl-
Alternate Name(s) (4E)-4-([2-Chloro-4-(dimethylamino)phenyl]imino)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (E)-4-((2-chloro-4-(dimethylamino)phenyl)imino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CAS Registry Number 27807-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN4O
InChI InChI=1S/C18H17ClN4O/c1-12-17(18(24)23(21-12)13-7-5-4-6-8-13)20-16-10-9-14(22(2)3)11-15(16)19/h4-11H,1-3H3/b20-17+
InChIKey JZINRNDVFLNOJU-LVZFUZTISA-N
Molecular Weight 340.814 g/mol
SMILES CN(C)c1cc(Cl)c(cc1)\N=C/1C(C)=NN(c2ccccc2)C1=O
SPLASH splash10-0006-9725000000-9f1b8c77bfc8cd3bd10a
Source of Spectrum AD-0-3153-0
Wiley ID 50673