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1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID HxagyaRGcYW
InChI InChI=1S/C21H19NO6S/c1-25-20(23)14-10-22(9-13-5-6-16-17(8-13)28-12-27-16)11-15(21(24)26-2)19(14)18-4-3-7-29-18/h3-8,10-11,19H,9,12H2,1-2H3
InChIKey TYPXECDKNDFALM-UHFFFAOYSA-N
Mol Weight 413.44 g/mol
Molecular Formula C21H19NO6S
Exact Mass 413.093309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bls6dI4VUH
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C21H19NO6S
InChI InChI=1S/C21H19NO6S/c1-25-20(23)14-10-22(9-13-5-6-16-17(8-13)28-12-27-16)11-15(21(24)26-2)19(14)18-4-3-7-29-18/h3-8,10-11,19H,9,12H2,1-2H3
InChIKey TYPXECDKNDFALM-UHFFFAOYSA-N
Molecular Weight 413.444 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)Cc1cc2OCOc2cc1)c1sccc1)C(=O)OC
SPLASH splash10-000i-4900000000-fe8604fcceec31d0910a
Synonyms 1-Piperonyl-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
Wiley ID 1461699