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5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-6-[(4-fluorophenoxy)methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID Kw4pIbsM15J
InChI InChI=1S/C21H19FN2O6/c1-2-27-20(25)18-15(10-28-14-6-4-13(22)5-7-14)23-21(26)24-19(18)12-3-8-16-17(9-12)30-11-29-16/h3-9,19H,2,10-11H2,1H3,(H2,23,24,26)
InChIKey WWNHXDZNMUOMLL-UHFFFAOYSA-N
Mol Weight 414.39 g/mol
Molecular Formula C21H19FN2O6
Exact Mass 414.122714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbM433mZQDe
Name 5-Pyrimidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-6-[(4-fluorophenoxy)methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-6-[(4-fluorophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-fluorophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-fluoranylphenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C21H19FN2O6
InChI InChI=1S/C21H19FN2O6/c1-2-27-20(25)18-15(10-28-14-6-4-13(22)5-7-14)23-21(26)24-19(18)12-3-8-16-17(9-12)30-11-29-16/h3-9,19H,2,10-11H2,1H3,(H2,23,24,26)
InChIKey WWNHXDZNMUOMLL-UHFFFAOYSA-N
Molecular Weight 414.389 g/mol
SMILES N1C(NC(C(=C1COc1ccc(F)cc1)C(=O)OCC)c1cc2OCOc2cc1)=O
SPLASH splash10-0w59-7982100000-ff260c43b1e97f9f729c
Source of Spectrum IY-1-4693-0
Wiley ID 1654913