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{4-[(E)-(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}acetic acid
SpectraBase Compound ID wup3ulfAHy
InChI InChI=1S/C26H23ClN2O7S/c1-4-35-25(33)22-14(2)28-26-29(23(22)16-6-8-17(27)9-7-16)24(32)20(37-26)12-15-5-10-18(19(11-15)34-3)36-13-21(30)31/h5-12,23H,4,13H2,1-3H3,(H,30,31)/b20-12+
InChIKey PCDIWWXMGHCGSL-UDWIEESQSA-N
Mol Weight 542.99 g/mol
Molecular Formula C26H23ClN2O7S
Exact Mass 542.09145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JDkrgwvq1RC
Name {4-[(E)-(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}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/C26H23ClN2O7S/c1-4-35-25(33)22-14(2)28-26-29(23(22)16-6-8-17(27)9-7-16)24(32)20(37-26)12-15-5-10-18(19(11-15)34-3)36-13-21(30)31/h5-12,23H,4,13H2,1-3H3,(H,30,31)/b20-12+
InChIKey PCDIWWXMGHCGSL-UDWIEESQSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4856
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: 9675926; UBI_ID: UBI-004857
Synonyms {4-[(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}acetic acid
Temperature 313 °C