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5-Methyl-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-5-carboxylic acid, methyl ester
SpectraBase Compound ID FIs67sniEsS
InChI InChI=1S/C18H17N3O4/c1-18(17(22)25-2)12-16(13-6-4-3-5-7-13)19-20(18)14-8-10-15(11-9-14)21(23)24/h3-11H,12H2,1-2H3
InChIKey AQUSGDHEIMAVQF-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASfo2RkkxY0
Name 5-Methyl-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-5-carboxylic acid, methyl ester
Alternate Name(s) 3-Methyl-2-(4-nitrophenyl)-5-phenyl-2-pyrazoline-3-carboxylic acid methyl ester 3-Methyl-2-(4-nitrophenyl)-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester Methyl 3-methyl-2-(4-nitrophenyl)-5-phenyl-4H-pyrazole-3-carboxylate Methyl 5-methyl-1-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate
CAS Registry Number 142397-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-18(17(22)25-2)12-16(13-6-4-3-5-7-13)19-20(18)14-8-10-15(11-9-14)21(23)24/h3-11H,12H2,1-2H3
InChIKey AQUSGDHEIMAVQF-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES C1(=NN(C(C1)(C(=O)OC)C)c1ccc(cc1)N(=O)=O)c1ccccc1
SPLASH splash10-001i-3190000000-aaa5d0e9fc4cc7299736
Source of Spectrum U-1992-894-18
Wiley ID 764443