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3H-pyrazol-3-one, 4-[[5-(1,3-dihydro-3-oxo-5-isobenzofuranyl)-2-furanyl]methylene]-2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, (4E)-
SpectraBase Compound ID C4zSKixBdzD
InChI InChI=1S/C25H20N2O4/c1-14-4-7-19(10-15(14)2)27-24(28)21(16(3)26-27)12-20-8-9-23(31-20)17-5-6-18-13-30-25(29)22(18)11-17/h4-12H,13H2,1-3H3/b21-12+
InChIKey JQNMQXIFDUAOQK-CIAFOILYSA-N
Mol Weight 412.45 g/mol
Molecular Formula C25H20N2O4
Exact Mass 412.142307 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqDuoXT9tGq
Name 3H-pyrazol-3-one, 4-[[5-(1,3-dihydro-3-oxo-5-isobenzofuranyl)-2-furanyl]methylene]-2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, (4E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H20N2O4/c1-14-4-7-19(10-15(14)2)27-24(28)21(16(3)26-27)12-20-8-9-23(31-20)17-5-6-18-13-30-25(29)22(18)11-17/h4-12H,13H2,1-3H3/b21-12+
InChIKey JQNMQXIFDUAOQK-CIAFOILYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2755
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11269497