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Ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID ClBETetnQcN
InChI InChI=1S/C15H16F2N2O3S/c1-3-21-13(20)11-8(2)18-15(23)19-12(11)9-6-4-5-7-10(9)22-14(16)17/h4-7,12,14H,3H2,1-2H3,(H2,18,19,23)
InChIKey KOUYCXKLICMXNB-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C15H16F2N2O3S
Exact Mass 342.08497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoyEDaEs0P0
Name Ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.084969880 u
Formula C15H16F2N2O3S
InChI InChI=1S/C15H16F2N2O3S/c1-3-21-13(20)11-8(2)18-15(23)19-12(11)9-6-4-5-7-10(9)22-14(16)17/h4-7,12,14H,3H2,1-2H3,(H2,18,19,23)
InChIKey KOUYCXKLICMXNB-UHFFFAOYSA-N
Molecular Weight 342.361 g/mol
SMILES N1C(NC(=C(C1C1=C(OC(F)F)C=CC=C1)C(=O)OCC)C)=S