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4-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JQz43PhHPxF
InChI InChI=1S/C23H20FNO6/c1-28-22(26)17-11-25(10-14-3-6-16(24)7-4-14)12-18(23(27)29-2)21(17)15-5-8-19-20(9-15)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3
InChIKey IUTLHVIGSMOSQA-UHFFFAOYSA-N
Mol Weight 425.41 g/mol
Molecular Formula C23H20FNO6
Exact Mass 425.127466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hD8NjmorFl
Name 4-(1,3-benzodioxol-5-yl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C23H20FNO6
InChI InChI=1S/C23H20FNO6/c1-28-22(26)17-11-25(10-14-3-6-16(24)7-4-14)12-18(23(27)29-2)21(17)15-5-8-19-20(9-15)31-13-30-19/h3-9,11-12,21H,10,13H2,1-2H3
InChIKey IUTLHVIGSMOSQA-UHFFFAOYSA-N
Molecular Weight 425.412 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)Cc1ccc(cc1)F)c1cc2OCOc2cc1)C(=O)OC
SPLASH splash10-0a4i-2903000000-9c5add0dd920e2bd653b
Synonyms 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
Wiley ID 1460032