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ethyl (2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 5tNIELrOsxi
InChI InChI=1S/C22H22N4O4S/c1-5-30-21(29)18-13(3)23-22-26(19(18)14-6-8-16(27)9-7-14)20(28)17(31-22)10-15-11-25(4)24-12(15)2/h6-11,19,27H,5H2,1-4H3/b17-10+
InChIKey GEQMWMFTIUUTBH-LICLKQGHSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AnXo2YpvFmL
Name ethyl (2E)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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/C22H22N4O4S/c1-5-30-21(29)18-13(3)23-22-26(19(18)14-6-8-16(27)9-7-14)20(28)17(31-22)10-15-11-25(4)24-12(15)2/h6-11,19,27H,5H2,1-4H3/b17-10+
InChIKey GEQMWMFTIUUTBH-LICLKQGHSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14477
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: UZI/1017512; UBI_ID: UBI-014480
Synonyms ethyl 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 300 °C