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ethyl (2E)-2-(2,3-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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ethyl (2E)-2-(2,3-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 2ZLcbRvVhHL
InChI InChI=1S/C23H18Cl2N2O3S/c1-3-30-22(29)18-13(2)26-23-27(20(18)14-8-5-4-6-9-14)21(28)17(31-23)12-15-10-7-11-16(24)19(15)25/h4-12,20H,3H2,1-2H3/b17-12+
InChIKey MIBPWSHRWUQRRB-SFQUDFHCSA-N
Mol Weight 473.37 g/mol
Molecular Formula C23H18Cl2N2O3S
Exact Mass 472.041519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqMwPNlPmbx
Name Ethyl (2E)-2-(2,3-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.041519019 u
Formula C23H18Cl2N2O3S
InChI InChI=1S/C23H18Cl2N2O3S/c1-3-30-22(29)18-13(2)26-23-27(20(18)14-8-5-4-6-9-14)21(28)17(31-23)12-15-10-7-11-16(24)19(15)25/h4-12,20H,3H2,1-2H3/b17-12+
InChIKey MIBPWSHRWUQRRB-SFQUDFHCSA-N
Molecular Weight 473.374 g/mol
SMILES C1=2N(C(C(=C(N2)C)C(=O)OCC)C=2C=CC=CC2)C(\C(S1)=C/C=1C(=C(Cl)C=CC1)Cl)=O