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2-thiophenecarboxylic acid, 4-cyano-5-[[(E)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-3-methyl-, ethyl ester

View entire compound with spectra: 1 NMR

2-thiophenecarboxylic acid, 4-cyano-5-[[(E)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-3-methyl-, ethyl ester
SpectraBase Compound ID 1z2febARedn
InChI InChI=1S/C22H22N4O3S/c1-6-29-22(28)19-14(4)17(10-23)20(30-19)24-11-18-15(5)25-26(21(18)27)16-8-7-12(2)13(3)9-16/h7-9,11,24H,6H2,1-5H3/b18-11+
InChIKey AACSVICFGSAENX-WOJGMQOQSA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cb0Q30vQNgB
Name 2-thiophenecarboxylic acid, 4-cyano-5-[[(E)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]-3-methyl-, ethyl ester
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/C22H22N4O3S/c1-6-29-22(28)19-14(4)17(10-23)20(30-19)24-11-18-15(5)25-26(21(18)27)16-8-7-12(2)13(3)9-16/h7-9,11,24H,6H2,1-5H3/b18-11+
InChIKey AACSVICFGSAENX-WOJGMQOQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1004
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: ZI/5114866; Labnumber: MAR002935t; IOH_ID: IOH-008006