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1H-pyrazole-3-acetic acid, 4-[1-[[[4-(aminosulfonyl)phenyl]methyl]amino]ethylidene]-4,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4Z)-
SpectraBase Compound ID KJf3GNsA7iv
InChI InChI=1S/C21H22N4O5S/c1-14(23-13-15-8-10-17(11-9-15)31(22,28)29)20-18(12-19(26)30-2)24-25(21(20)27)16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H2,22,28,29)/b20-14-
InChIKey IFNZITZTYLJYFE-ZHZULCJRSA-N
Mol Weight 442.49 g/mol
Molecular Formula C21H22N4O5S
Exact Mass 442.131091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fc33D8X2wK6
Name 1H-pyrazole-3-acetic acid, 4-[1-[[[4-(aminosulfonyl)phenyl]methyl]amino]ethylidene]-4,5-dihydro-5-oxo-1-phenyl-, 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/C21H22N4O5S/c1-14(23-13-15-8-10-17(11-9-15)31(22,28)29)20-18(12-19(26)30-2)24-25(21(20)27)16-6-4-3-5-7-16/h3-11,23H,12-13H2,1-2H3,(H2,22,28,29)/b20-14-
InChIKey IFNZITZTYLJYFE-ZHZULCJRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_919
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: F06831; Labnumber: VGU-77645
Temperature 308 °C