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methyl {(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
SpectraBase Compound ID CYVZyl8AhQP
InChI InChI=1S/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,23H,12H2,1-3H3/b20-13+
InChIKey NJVBRKXLHFSWML-DEDYPNTBSA-N
Mol Weight 436.49 g/mol
Molecular Formula C22H20N4O4S
Exact Mass 436.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bqz7JpMdwiW
Name methyl {(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
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/C22H20N4O4S/c1-13(23-14-8-10-15(29-2)11-9-14)20-17(12-19(27)30-3)25-26(21(20)28)22-24-16-6-4-5-7-18(16)31-22/h4-11,23H,12H2,1-3H3/b20-13+
InChIKey NJVBRKXLHFSWML-DEDYPNTBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11683
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: E09251; Labnumber: VGU-23122; SBI_ID: SBI-011686
Synonyms methyl {1-(1,3-benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate
Temperature 318 °C