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4-chloro-5-{2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-2-phenyl-3(2H)-pyridazinone
SpectraBase Compound ID DhZJAs2B0Xk
InChI InChI=1S/C28H21ClN4O4/c1-18-22(27(34)33(31-18)21-11-7-4-8-12-21)15-19-13-14-23(24(16-19)36-2)37-25-17-30-32(28(35)26(25)29)20-9-5-3-6-10-20/h3-17H,1-2H3/b22-15+
InChIKey NKORXINQFSBMHP-PXLXIMEGSA-N
Mol Weight 512.95 g/mol
Molecular Formula C28H21ClN4O4
Exact Mass 512.125133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jqvv6PeCeQc
Name 4-chloro-5-{2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-2-phenyl-3(2H)-pyridazinone
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/C28H21ClN4O4/c1-18-22(27(34)33(31-18)21-11-7-4-8-12-21)15-19-13-14-23(24(16-19)36-2)37-25-17-30-32(28(35)26(25)29)20-9-5-3-6-10-20/h3-17H,1-2H3/b22-15+
InChIKey NKORXINQFSBMHP-PXLXIMEGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31620
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: 1843106; SBI_ID: SBI-031624
Synonyms 4-chloro-5-{2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-2-phenyl-3(2H)-pyridazinone
Temperature 308 °C