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5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylene]-5-(4-fluorophenyl)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2Z)-
SpectraBase Compound ID CO1EMCLpqR7
InChI InChI=1S/C26H21BrFN3O5S/c1-4-35-25(33)21-14(2)30-26-31(22(21)16-5-7-17(28)8-6-16)24(32)20(37-26)13-15-11-18(27)23(36-10-9-29)19(12-15)34-3/h5-8,11-13,22H,4,10H2,1-3H3/b20-13-
InChIKey AMMBWLZYUNFFIX-MOSHPQCFSA-N
Mol Weight 586.43 g/mol
Molecular Formula C26H21BrFN3O5S
Exact Mass 585.036933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Lu51BDDJVn
Name 5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylene]-5-(4-fluorophenyl)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2Z)-
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/C26H21BrFN3O5S/c1-4-35-25(33)21-14(2)30-26-31(22(21)16-5-7-17(28)8-6-16)24(32)20(37-26)13-15-11-18(27)23(36-10-9-29)19(12-15)34-3/h5-8,11-13,22H,4,10H2,1-3H3/b20-13-
InChIKey AMMBWLZYUNFFIX-MOSHPQCFSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1191
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: NMR/11259284