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1H-pyrazole-3-acetic acid, 4-[1-[[4-(aminosulfonyl)phenyl]amino]ethylidene]-4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-, methyl ester, (4Z)-

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1H-pyrazole-3-acetic acid, 4-[1-[[4-(aminosulfonyl)phenyl]amino]ethylidene]-4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-, methyl ester, (4Z)-
SpectraBase Compound ID 8pXRb0vi1JG
InChI InChI=1S/C21H22N4O6S/c1-13(23-14-4-10-17(11-5-14)32(22,28)29)20-18(12-19(26)31-3)24-25(21(20)27)15-6-8-16(30-2)9-7-15/h4-11,23H,12H2,1-3H3,(H2,22,28,29)/b20-13-
InChIKey LSGIZWBCMMOKDW-MOSHPQCFSA-N
Mol Weight 458.49 g/mol
Molecular Formula C21H22N4O6S
Exact Mass 458.126006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ALNFF9t2jFq
Name 1H-pyrazole-3-acetic acid, 4-[1-[[4-(aminosulfonyl)phenyl]amino]ethylidene]-4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-, methyl ester, (4Z)-
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/C21H22N4O6S/c1-13(23-14-4-10-17(11-5-14)32(22,28)29)20-18(12-19(26)31-3)24-25(21(20)27)15-6-8-16(30-2)9-7-15/h4-11,23H,12H2,1-3H3,(H2,22,28,29)/b20-13-
InChIKey LSGIZWBCMMOKDW-MOSHPQCFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_950
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: F06862; Labnumber: VGU-77956
Temperature 308 °C