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Ethyl 4-(2,3-Dihydro-2-hydroxy-1,3-dioxo-1H-inden-2-yl)-5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID LFLdxvPnECQ
InChI InChI=1S/C21H16N2O6/c1-2-29-20(27)16-15(19(26)23(22-16)12-8-4-3-5-9-12)21(28)17(24)13-10-6-7-11-14(13)18(21)25/h3-11,26,28H,2H2,1H3
InChIKey XFSCXQTZBSXMIN-UHFFFAOYSA-N
Mol Weight 392.37 g/mol
Molecular Formula C21H16N2O6
Exact Mass 392.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oyObioZg8d
Name Ethyl 4-(2,3-Dihydro-2-hydroxy-1,3-dioxo-1H-inden-2-yl)-5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O6
InChI InChI=1S/C21H16N2O6/c1-2-29-20(27)16-15(19(26)23(22-16)12-8-4-3-5-9-12)21(28)17(24)13-10-6-7-11-14(13)18(21)25/h3-11,26,28H,2H2,1H3
InChIKey XFSCXQTZBSXMIN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100317
Molecular Weight 392.367 g/mol
SMILES Oc1[n](nc(c1C1(C(c2ccccc2C1=O)=O)O)C(=O)OCC)-c1ccccc1
SPLASH splash10-0ugi-7930000000-af8542e7090cc35637e7
Source of Spectrum H-95-280-3b
Synonyms Ethyl 5-hydroxy-4-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-1-phenyl-1H-pyrazole-3-carboxylate
Wiley ID 1786167