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3-(2-mesyl-5-methyl-3-thienyl)-1-(4-nitrophenyl)-5-phenyl-2-pyrazoline
SpectraBase Compound ID I43riQE454w
InChI InChI=1S/C21H19N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-12,20H,13H2,1-2H3
InChIKey MIPHHVTZKBLFEQ-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C21H19N3O4S2
Exact Mass 441.081698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnziUEA3IXF
Name 3-(2-mesyl-5-methyl-3-thienyl)-1-(4-nitrophenyl)-5-phenyl-2-pyrazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O4S2
InChI InChI=1S/C21H19N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-12,20H,13H2,1-2H3
InChIKey MIPHHVTZKBLFEQ-UHFFFAOYSA-N
Molecular Weight 441.520 g/mol
SMILES c1(c(S(=O)(=O)C)sc(c1)C)C1=NN(c2ccc(N(=O)=O)cc2)C(C1)c1ccccc1
SPLASH splash10-03dl-0129500000-d00a687a961f3197c345
Source of Spectrum F9-1994-115-6
Synonyms 5-(5-Methyl-2-methylsulfonyl-3-thienyl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole 5-(5-Methyl-2-methylsulfonyl-3-thiophenyl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole 5-(5-Methyl-2-methylsulfonyl-thiophen-3-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
Wiley ID 1566852