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3H-pyrazol-3-one, 4-[[[6-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]hexyl]amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (4E)-
SpectraBase Compound ID LQ41fRM0dwO
InChI InChI=1S/C30H36N6O2/c1-21-9-13-25(14-10-21)35-29(37)27(23(3)33-35)19-31-17-7-5-6-8-18-32-20-28-24(4)34-36(30(28)38)26-15-11-22(2)12-16-26/h9-16,19-20,31-32H,5-8,17-18H2,1-4H3/b27-19+,28-20+
InChIKey OPXOZCFBEPZSDM-MKYUKRCKSA-N
Mol Weight 512.7 g/mol
Molecular Formula C30H36N6O2
Exact Mass 512.289974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KFTYpPxzW0J
Name 3H-pyrazol-3-one, 4-[[[6-[[(E)-[1,5-dihydro-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]hexyl]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/C30H36N6O2/c1-21-9-13-25(14-10-21)35-29(37)27(23(3)33-35)19-31-17-7-5-6-8-18-32-20-28-24(4)34-36(30(28)38)26-15-11-22(2)12-16-26/h9-16,19-20,31-32H,5-8,17-18H2,1-4H3/b27-19+,28-20+
InChIKey OPXOZCFBEPZSDM-MKYUKRCKSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3757
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-205/5057933; Labnumber: MAR1084; IOH_ID: IOH-010760
Temperature 313 °C