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3H-pyrazol-3-one, 4-[[[3-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]phenyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (4E)-
SpectraBase Compound ID CPAEdQWcGh
InChI InChI=1S/C30H28N6O2/c1-19-8-12-25(13-9-19)35-29(37)27(21(3)33-35)17-31-23-6-5-7-24(16-23)32-18-28-22(4)34-36(30(28)38)26-14-10-20(2)11-15-26/h5-18,31-32H,1-4H3/b27-17+,28-18+
InChIKey AOYBTCLHWXRMGG-XUIWWLCJSA-N
Mol Weight 504.59 g/mol
Molecular Formula C30H28N6O2
Exact Mass 504.227374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZqHTPR44dk
Name 3H-pyrazol-3-one, 4-[[[3-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]phenyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (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/C30H28N6O2/c1-19-8-12-25(13-9-19)35-29(37)27(21(3)33-35)17-31-23-6-5-7-24(16-23)32-18-28-22(4)34-36(30(28)38)26-14-10-20(2)11-15-26/h5-18,31-32H,1-4H3/b27-17+,28-18+
InChIKey AOYBTCLHWXRMGG-XUIWWLCJSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3759
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: AG-205/5057940; Labnumber: MAR1091; IOH_ID: IOH-010762
Temperature 353 °C