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methyl (2E)-2-(3-furylmethylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID CF4ubskZ9ql
InChI InChI=1S/C20H16N2O4S/c1-12-16(19(24)25-2)17(14-6-4-3-5-7-14)22-18(23)15(27-20(22)21-12)10-13-8-9-26-11-13/h3-11,17H,1-2H3/b15-10+
InChIKey CUXHMKUDOJUELY-XNTDXEJSSA-N
Mol Weight 380.42 g/mol
Molecular Formula C20H16N2O4S
Exact Mass 380.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yUa7zqF8pW
Name Methyl (2E)-2-(3-furylmethylene)-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 380.083078173 u
Formula C20H16N2O4S
InChI InChI=1S/C20H16N2O4S/c1-12-16(19(24)25-2)17(14-6-4-3-5-7-14)22-18(23)15(27-20(22)21-12)10-13-8-9-26-11-13/h3-11,17H,1-2H3/b15-10+
InChIKey CUXHMKUDOJUELY-XNTDXEJSSA-N
Molecular Weight 380.418 g/mol
SMILES C=1C=CC(C2C(=C(C)N=C3N2C(\C(=C/C2=COC=C2)S3)=O)C(=O)OC)=CC1