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ethyl (2E)-5-(4-bromophenyl)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID G3lIIp9aeCP
InChI InChI=1S/C23H18BrFN2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)15-6-8-16(24)9-7-15)21(28)18(31-23)12-14-4-10-17(25)11-5-14/h4-12,20H,3H2,1-2H3/b18-12+
InChIKey BVCYBPNTBKTNBG-LDADJPATSA-N
Mol Weight 501.37 g/mol
Molecular Formula C23H18BrFN2O3S
Exact Mass 500.020555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID COaySEZDbCe
Name ethyl (2E)-5-(4-bromophenyl)-2-(4-fluorobenzylidene)-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/C23H18BrFN2O3S/c1-3-30-22(29)19-13(2)26-23-27(20(19)15-6-8-16(24)9-7-15)21(28)18(31-23)12-14-4-10-17(25)11-5-14/h4-12,20H,3H2,1-2H3/b18-12+
InChIKey BVCYBPNTBKTNBG-LDADJPATSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33875
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: 1996781; SBI_ID: SBI-033879
Synonyms ethyl 5-(4-bromophenyl)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 303 °C