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

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1H-pyrazole-3-acetic acid, 4-[1-[[[4-(aminosulfonyl)phenyl]methyl]amino]ethylidene]-1-(4-fluorophenyl)-4,5-dihydro-5-oxo-, methyl ester, (4Z)-
SpectraBase Compound ID hwV9Rm62gO
InChI InChI=1S/C21H21FN4O5S/c1-13(24-12-14-3-9-17(10-4-14)32(23,29)30)20-18(11-19(27)31-2)25-26(21(20)28)16-7-5-15(22)6-8-16/h3-10,24H,11-12H2,1-2H3,(H2,23,29,30)/b20-13-
InChIKey NZRPXIPKDGXELV-MOSHPQCFSA-N
Mol Weight 460.48 g/mol
Molecular Formula C21H21FN4O5S
Exact Mass 460.121669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 47dRsXWjoYy
Name 1H-pyrazole-3-acetic acid, 4-[1-[[[4-(aminosulfonyl)phenyl]methyl]amino]ethylidene]-1-(4-fluorophenyl)-4,5-dihydro-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/C21H21FN4O5S/c1-13(24-12-14-3-9-17(10-4-14)32(23,29)30)20-18(11-19(27)31-2)25-26(21(20)28)16-7-5-15(22)6-8-16/h3-10,24H,11-12H2,1-2H3,(H2,23,29,30)/b20-13-
InChIKey NZRPXIPKDGXELV-MOSHPQCFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_920
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: F06832; Labnumber: VGU-77647
Temperature 308 °C