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5-Amino-1-(4-nitrophenyl)pyrazole-3,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 3iAwGKKHRT6
InChI InChI=1S/C15H16N4O6/c1-3-24-14(20)11-12(15(21)25-4-2)17-18(13(11)16)9-5-7-10(8-6-9)19(22)23/h5-8H,3-4,16H2,1-2H3
InChIKey NGVALDOKSFLKRU-UHFFFAOYSA-N
Mol Weight 348.32 g/mol
Molecular Formula C15H16N4O6
Exact Mass 348.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LC9ZDK9uy
Name 5-Amino-1-(4-nitrophenyl)pyrazole-3,4-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 5-amino-1-(4-nitrophenyl)pyrazole-3,4-dicarboxylate Diethyl 5-azanyl-1-(4-nitrophenyl)pyrazole-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O6
InChI InChI=1S/C15H16N4O6/c1-3-24-14(20)11-12(15(21)25-4-2)17-18(13(11)16)9-5-7-10(8-6-9)19(22)23/h5-8H,3-4,16H2,1-2H3
InChIKey NGVALDOKSFLKRU-UHFFFAOYSA-N
Molecular Weight 348.315 g/mol
SMILES Nc1c(c(n[n]1-c1ccc(N(=O)=O)cc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-0f6t-0049000000-b9ff70c2f238f7df1596
Source of Spectrum H1-48-2101-5
Wiley ID 816665