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1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(2-hydroxyethyl)-alpha-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylene]-

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1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(2-hydroxyethyl)-alpha-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylene]-
SpectraBase Compound ID 8uuDjM8y3h1
InChI InChI=1S/C20H22N8O3/c1-25-4-6-26(7-5-25)17-3-2-14(11-18(17)28(30)31)10-15(12-21)19-16(13-22)20(23)27(24-19)8-9-29/h2-3,10-11,29H,4-9,23H2,1H3/b15-10+
InChIKey LKKNTDMBCAQAPQ-XNTDXEJSSA-N
Mol Weight 422.45 g/mol
Molecular Formula C20H22N8O3
Exact Mass 422.181487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBRrfiLDi1k
Name 1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(2-hydroxyethyl)-alpha-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.181486597 u
Formula C20H22N8O3
InChI InChI=1S/C20H22N8O3/c1-25-4-6-26(7-5-25)17-3-2-14(11-18(17)28(30)31)10-15(12-21)19-16(13-22)20(23)27(24-19)8-9-29/h2-3,10-11,29H,4-9,23H2,1H3/b15-10+
InChIKey LKKNTDMBCAQAPQ-XNTDXEJSSA-N
Molecular Weight 422.449 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1141
Solvent DMSO-d6
Source Vendor ID: ZI/7074102; Lab Info: SAD; Lab Number: SAD-e500303