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1H-Pyrazole-3,4-dicarboxylic acid, 2,5-dihydro-5-(2-pyridinyl)-2-(2-quinolinyl)-, dimethyl ester
SpectraBase Compound ID Cw7k38UvlzJ
InChI InChI=1S/C21H18N4O4/c1-28-20(26)17-18(15-9-5-6-12-22-15)24-25(19(17)21(27)29-2)16-11-10-13-7-3-4-8-14(13)23-16/h3-12,18,24H,1-2H3
InChIKey IBWAYDVBCGMTIV-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C21H18N4O4
Exact Mass 390.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhLb5UWp9sf
Name 1H-Pyrazole-3,4-dicarboxylic acid, 2,5-dihydro-5-(2-pyridinyl)-2-(2-quinolinyl)-, dimethyl ester
Alternate Name(s) 1-(2-Quinolinyl)-3-(2-pyridyl)-4,5-di(methoxycarbonyl)4-pyrazoline Dimethyl 5-(2-pyridinyl)-2-(2-quinolinyl)-2,5-dihydro-1H-pyrazole-3,4-dicarboxylate
CAS Registry Number 118133-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O4
InChI InChI=1S/C21H18N4O4/c1-28-20(26)17-18(15-9-5-6-12-22-15)24-25(19(17)21(27)29-2)16-11-10-13-7-3-4-8-14(13)23-16/h3-12,18,24H,1-2H3
InChIKey IBWAYDVBCGMTIV-UHFFFAOYSA-N
Molecular Weight 390.399 g/mol
SMILES N1C(C(=C(N1c1nc2ccccc2cc1)C(=O)OC)C(=O)OC)c1ncccc1
SPLASH splash10-03di-0409000000-341277e2bc80cdae0c7f
Source of Spectrum F-43-5881-15
Wiley ID 1364762