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3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]ethyl]amino]methylene]-2-(4-nitrophenyl)-, (4E)-
SpectraBase Compound ID 1ezq9Pw3fyE
InChI InChI=1S/C21H28N6O4/c1-15(2)20(28)25-12-10-24(11-13-25)9-8-22-14-19-16(3)23-26(21(19)29)17-4-6-18(7-5-17)27(30)31/h4-7,14-15,22H,8-13H2,1-3H3/b19-14+
InChIKey ZZOXWVDGPPNSFZ-XMHGGMMESA-N
Mol Weight 428.49 g/mol
Molecular Formula C21H28N6O4
Exact Mass 428.217203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7H9U4uAemzy
Name 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]ethyl]amino]methylene]-2-(4-nitrophenyl)-, (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/C21H28N6O4/c1-15(2)20(28)25-12-10-24(11-13-25)9-8-22-14-19-16(3)23-26(21(19)29)17-4-6-18(7-5-17)27(30)31/h4-7,14-15,22H,8-13H2,1-3H3/b19-14+
InChIKey ZZOXWVDGPPNSFZ-XMHGGMMESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1108
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/11228924