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{4-[(E)-(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 8jgSguqdMiF
InChI InChI=1S/C28H28N2O9S/c1-6-38-27(34)23-15(2)29-28-30(24(23)17-12-19(35-3)25(37-5)20(13-17)36-4)26(33)21(40-28)11-16-7-9-18(10-8-16)39-14-22(31)32/h7-13,24H,6,14H2,1-5H3,(H,31,32)/b21-11+
InChIKey KQIAHMAJIDFFKJ-SRZZPIQSSA-N
Mol Weight 568.6 g/mol
Molecular Formula C28H28N2O9S
Exact Mass 568.151552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GlgjVaadS56
Name {4-[(E)-(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
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/C28H28N2O9S/c1-6-38-27(34)23-15(2)29-28-30(24(23)17-12-19(35-3)25(37-5)20(13-17)36-4)26(33)21(40-28)11-16-7-9-18(10-8-16)39-14-22(31)32/h7-13,24H,6,14H2,1-5H3,(H,31,32)/b21-11+
InChIKey KQIAHMAJIDFFKJ-SRZZPIQSSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4880
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: 9684879; UBI_ID: UBI-004881
Synonyms {4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
Temperature 313 °C