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1H-pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-4-[1-[[2-(2-thienyl)ethyl]amino]ethylidene]-, methyl ester, (4Z)-

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1H-pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-4-[1-[[2-(2-thienyl)ethyl]amino]ethylidene]-, methyl ester, (4Z)-
SpectraBase Compound ID 6ZgjFCUEwK6
InChI InChI=1S/C21H23N3O4S/c1-14(22-11-10-17-5-4-12-29-17)20-18(13-19(25)28-3)23-24(21(20)26)15-6-8-16(27-2)9-7-15/h4-9,12,22H,10-11,13H2,1-3H3/b20-14-
InChIKey ORFYJLHECXNCPT-ZHZULCJRSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EiZlVMB4phV
Name 1H-pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-5-oxo-4-[1-[[2-(2-thienyl)ethyl]amino]ethylidene]-, 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/C21H23N3O4S/c1-14(22-11-10-17-5-4-12-29-17)20-18(13-19(25)28-3)23-24(21(20)26)15-6-8-16(27-2)9-7-15/h4-9,12,22H,10-11,13H2,1-3H3/b20-14-
InChIKey ORFYJLHECXNCPT-ZHZULCJRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_946
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: F06858; Labnumber: VGU-77801
Temperature 308 °C