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1-(6-(4-Hydroxy-3-methoxystyryl)-3-methyl-1-phenyl-1Hpyrazolo[3,4-b]pyrid-in-5-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(6-(4-Hydroxy-3-methoxystyryl)-3-methyl-1-phenyl-1Hpyrazolo[3,4-b]pyrid-in-5-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
SpectraBase Compound ID JX97UO2nQ1X
InChI InChI=1S/C32H27N3O5/c1-20-24-19-25(27(36)14-10-22-12-16-29(38)31(18-22)40-3)26(13-9-21-11-15-28(37)30(17-21)39-2)33-32(24)35(34-20)23-7-5-4-6-8-23/h4-19,37-38H,1-3H3/b13-9+,14-10+
InChIKey CBUCKHDEWHQHED-UTLPMFLDSA-N
Mol Weight 533.6 g/mol
Molecular Formula C32H27N3O5
Exact Mass 533.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LDMzEVf3Z6
Name 1-(6-(4-Hydroxy-3-methoxystyryl)-3-methyl-1-phenyl-1hpyrazolo[3,4-B]pyrid-in-5-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.195070976 u
Formula C32H27N3O5
InChI InChI=1S/C32H27N3O5/c1-20-24-19-25(27(36)14-10-22-12-16-29(38)31(18-22)40-3)26(13-9-21-11-15-28(37)30(17-21)39-2)33-32(24)35(34-20)23-7-5-4-6-8-23/h4-19,37-38H,1-3H3/b13-9+,14-10+
InChIKey CBUCKHDEWHQHED-UTLPMFLDSA-N
Molecular Weight 533.584 g/mol
SMILES C1(=C(C=CC(=C1)\C=C\C(C=1C(\C=C\C2=CC=C(C(=C2)OC)O)=NC2=C(C1)C(=NN2C1=CC=CC=C1)C)=O)O)OC