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4-{[(E)-(3-{(E)-[(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-hydroxy-5-methylphenyl)methylidene]amino}-2,5-dimethyl-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID I7rFkdAGtjQ
InChI InChI=1S/C31H30N6O3/c1-20-16-23(18-32-27-21(2)36(34(4)30(27)39)25-12-8-6-9-13-25)29(38)24(17-20)19-33-28-22(3)37(35(5)31(28)40)26-14-10-7-11-15-26/h6-19,38H,1-5H3/b32-18+,33-19+
InChIKey SLLQPLLZSKJZTM-XYHIKERESA-N
Mol Weight 534.62 g/mol
Molecular Formula C31H30N6O3
Exact Mass 534.237939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kesgkl3CIZd
Name 4-{[(E)-(3-{(E)-[(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-hydroxy-5-methylphenyl)methylidene]amino}-2,5-dimethyl-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
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/C31H30N6O3/c1-20-16-23(18-32-27-21(2)36(34(4)30(27)39)25-12-8-6-9-13-25)29(38)24(17-20)19-33-28-22(3)37(35(5)31(28)40)26-14-10-7-11-15-26/h6-19,38H,1-5H3/b32-18+,33-19+
InChIKey SLLQPLLZSKJZTM-XYHIKERESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2329
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: 801735RRL-088; Labnumber: 801735RRL-088; VK_ID: VK-002330
Synonyms 4-{[(3-{[(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-hydroxy-5-methylphenyl)methylidene]amino}-2,5-dimethyl-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
Temperature 315 °C