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3H-pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-phenyl-4-[[[2-[4-(phenylacetyl)-1-piperazinyl]ethyl]amino]methylene]-, (4E)-

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3H-pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-phenyl-4-[[[2-[4-(phenylacetyl)-1-piperazinyl]ethyl]amino]methylene]-, (4E)-
SpectraBase Compound ID K19SIW2aXtH
InChI InChI=1S/C30H30N6O4/c37-28(21-23-7-3-1-4-8-23)34-19-17-33(18-20-34)16-15-31-22-27-29(24-9-5-2-6-10-24)32-35(30(27)38)25-11-13-26(14-12-25)36(39)40/h1-14,22,31H,15-21H2/b27-22+
InChIKey URZYSFKOBPYMST-HPNDGRJYSA-N
Mol Weight 538.61 g/mol
Molecular Formula C30H30N6O4
Exact Mass 538.232853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jhd0xmh1dGk
Name 3H-pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-phenyl-4-[[[2-[4-(phenylacetyl)-1-piperazinyl]ethyl]amino]methylene]-, (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/C30H30N6O4/c37-28(21-23-7-3-1-4-8-23)34-19-17-33(18-20-34)16-15-31-22-27-29(24-9-5-2-6-10-24)32-35(30(27)38)25-11-13-26(14-12-25)36(39)40/h1-14,22,31H,15-21H2/b27-22+
InChIKey URZYSFKOBPYMST-HPNDGRJYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1104
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: NMR/11228914