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5-thiazolecarboxylic acid, 2-[(4E)-4,5-dihydro-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-methyl-, ethyl ester

View entire compound with spectra: 1 NMR

5-thiazolecarboxylic acid, 2-[(4E)-4,5-dihydro-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-methyl-, ethyl ester
SpectraBase Compound ID 21u22AZnj7m
InChI InChI=1S/C21H21N3O6S/c1-5-29-20(27)18-13(3)22-21(31-18)24-19(26)16(12(2)23-24)10-14-6-8-15(9-7-14)30-11-17(25)28-4/h6-10H,5,11H2,1-4H3/b16-10+
InChIKey AKBGLCIGQGUMLW-MHWRWJLKSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTQOZj0SwA2
Name 5-thiazolecarboxylic acid, 2-[(4E)-4,5-dihydro-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-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/C21H21N3O6S/c1-5-29-20(27)18-13(3)22-21(31-18)24-19(26)16(12(2)23-24)10-14-6-8-15(9-7-14)30-11-17(25)28-4/h6-10H,5,11H2,1-4H3/b16-10+
InChIKey AKBGLCIGQGUMLW-MHWRWJLKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6966
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: NMR/12228877