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4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EorN30Dki2j
InChI InChI=1S/C24H21NO8/c1-28-23(26)16-10-25(9-14-3-5-18-20(7-14)32-12-30-18)11-17(24(27)29-2)22(16)15-4-6-19-21(8-15)33-13-31-19/h3-8,10-11,22H,9,12-13H2,1-2H3
InChIKey PUPCYTIHHHCLIN-UHFFFAOYSA-N
Mol Weight 451.43 g/mol
Molecular Formula C24H21NO8
Exact Mass 451.126717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp4opcxE4rm
Name 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-1,4-dihydro-3,5-pyridinedicarboxylate Dimethyl 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-4H-pyridine-3,5-dicarboxylate
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Formula C24H21NO8
InChI InChI=1S/C24H21NO8/c1-28-23(26)16-10-25(9-14-3-5-18-20(7-14)32-12-30-18)11-17(24(27)29-2)22(16)15-4-6-19-21(8-15)33-13-31-19/h3-8,10-11,22H,9,12-13H2,1-2H3
InChIKey PUPCYTIHHHCLIN-UHFFFAOYSA-N
Molecular Weight 451.431 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)Cc1cc2OCOc2cc1)c1cc2OCOc2cc1)C(=O)OC
SPLASH splash10-000i-1912000000-09e030383a78e68fcdfe
Wiley ID 1461803