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4-[(E)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoic acid

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4-[(E)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoic acid
SpectraBase Compound ID G9nXHWz3I8C
InChI InChI=1S/C24H19FN2O5S/c1-3-32-23(31)19-13(2)26-24-27(20(19)15-8-10-17(25)11-9-15)21(28)18(33-24)12-14-4-6-16(7-5-14)22(29)30/h4-12,20H,3H2,1-2H3,(H,29,30)/b18-12+
InChIKey XNKILWFYEHUPLW-LDADJPATSA-N
Mol Weight 466.48 g/mol
Molecular Formula C24H19FN2O5S
Exact Mass 466.099871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7hTtGmOhwgJ
Name 4-[(E)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoic 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/C24H19FN2O5S/c1-3-32-23(31)19-13(2)26-24-27(20(19)15-8-10-17(25)11-9-15)21(28)18(33-24)12-14-4-6-16(7-5-14)22(29)30/h4-12,20H,3H2,1-2H3,(H,29,30)/b18-12+
InChIKey XNKILWFYEHUPLW-LDADJPATSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8307
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: 9686109; UBI_ID: UBI-008310
Synonyms 4-[(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoic acid
Temperature 308 °C