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DIFENZOQUAT
SpectraBase Compound ID HjiQSG9QOlG
InChI InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey XQEMNBNCQVQXMO-UHFFFAOYSA-M
Mol Weight 360.43 g/mol
Molecular Formula C18H20N2O4S
Exact Mass 360.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXrZuIkgTOR
Name 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-, methyl sulfate
Alternate Name(s) 1,2-Dimethyl-3,5-diphenyl-1H-pyrazol-2-ium methyl sulfate 1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate 1,2-Dimethyl-3,5-Diphenylpyrazolium methyl sulfate 1,2-Dimethyl-3,5-diphenylpyrazolium methylsulphate Avenge Avenge 2 Difenzoquat methyl sulfate Difenzoquat methyl sulphate Finaven YEH-YAN-KU 1,2-Dimethyl-3,5-diphenylpyrazol-1-ium;methyl sulfate AC 84777 CASWELL NO. 363A EINECS 256-152-5 EPA PESTICIDE CHEMICAL CODE 106401
CAS Registry Number 43222-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O4S
InChI InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey XQEMNBNCQVQXMO-UHFFFAOYSA-M
Molecular Weight 360.428 g/mol
SMILES COS([O-])(=O)=O.c1([n]([n+](c(c1)-c1ccccc1)C)C)-c1ccccc1
SPLASH splash10-003s-9210000000-88f45fcb39c7443292d9
Source of Spectrum W5-31503-0-0
Wiley ID 1348198