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

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1H-pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-4-[1-[(3-methyl-2-pyridinyl)amino]ethylidene]-5-oxo-, methyl ester, (4Z)-
SpectraBase Compound ID GepJa5mwqM1
InChI InChI=1S/C21H22N4O4/c1-13-6-5-11-22-20(13)23-14(2)19-17(12-18(26)29-4)24-25(21(19)27)15-7-9-16(28-3)10-8-15/h5-11H,12H2,1-4H3,(H,22,23)/b19-14-
InChIKey CBZCEBXAEXYPEJ-RGEXLXHISA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9EkG5HI3HY
Name 1H-pyrazole-3-acetic acid, 4,5-dihydro-1-(4-methoxyphenyl)-4-[1-[(3-methyl-2-pyridinyl)amino]ethylidene]-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/C21H22N4O4/c1-13-6-5-11-22-20(13)23-14(2)19-17(12-18(26)29-4)24-25(21(19)27)15-7-9-16(28-3)10-8-15/h5-11H,12H2,1-4H3,(H,22,23)/b19-14-
InChIKey CBZCEBXAEXYPEJ-RGEXLXHISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_941
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: F06853; Labnumber: VGU-77776
Temperature 308 °C