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3H-pyrazol-3-one, 4-[[[5-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-2-methylphenyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (4E)-
SpectraBase Compound ID 4A3yYTc651a
InChI InChI=1S/C31H30N6O2/c1-19-6-12-25(13-7-19)36-30(38)27(22(4)34-36)17-32-24-11-10-21(3)29(16-24)33-18-28-23(5)35-37(31(28)39)26-14-8-20(2)9-15-26/h6-18,32-33H,1-5H3/b27-17+,28-18+
InChIKey FSBWOBXLNKOMKC-XUIWWLCJSA-N
Mol Weight 518.62 g/mol
Molecular Formula C31H30N6O2
Exact Mass 518.243024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AjmLThcYsX8
Name 3H-pyrazol-3-one, 4-[[[5-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-2-methylphenyl]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/C31H30N6O2/c1-19-6-12-25(13-7-19)36-30(38)27(22(4)34-36)17-32-24-11-10-21(3)29(16-24)33-18-28-23(5)35-37(31(28)39)26-14-8-20(2)9-15-26/h6-18,32-33H,1-5H3/b27-17+,28-18+
InChIKey FSBWOBXLNKOMKC-XUIWWLCJSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3756
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-205/5057905; Labnumber: MAR1056; IOH_ID: IOH-010759
Temperature 313 °C