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6-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-3,4,5-tris-methoxycarbonyl-hexa-2,4-dienoic acid methyl ester
SpectraBase Compound ID BKnjJA40Dvs
InChI InChI=1S/C24H27NO8/c1-24(2)13-14-9-7-8-10-15(14)18(25-24)11-16(21(27)31-4)20(23(29)33-6)17(22(28)32-5)12-19(26)30-3/h7-10,12H,11,13H2,1-6H3/b17-12-,20-16+
InChIKey HSWSTSCIYVKPRF-LJXPKCHNSA-N
Mol Weight 457.48 g/mol
Molecular Formula C24H27NO8
Exact Mass 457.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoLnhPZf2t9
Name 6-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-3,4,5-tris-methoxycarbonyl-hexa-2,4-dienoic acid methyl ester
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Formula C24H27NO8
InChI InChI=1S/C24H27NO8/c1-24(2)13-14-9-7-8-10-15(14)18(25-24)11-16(21(27)31-4)20(23(29)33-6)17(22(28)32-5)12-19(26)30-3/h7-10,12H,11,13H2,1-6H3/b17-12-,20-16+
InChIKey HSWSTSCIYVKPRF-LJXPKCHNSA-N
Molecular Weight 457.479 g/mol
SMILES c1cc2CC(N=C(c2cc1)C\C(=C/(C(=O)OC)\C(C(=O)OC)=C\C(=O)OC)C(OC)=O)(C)C
SPLASH splash10-03di-5987000000-ee1bb2674dfe9d2f4723
Synonyms (1Z,3E)-5-(3,3-dimethyl-4H-isoquinolin-1-yl)penta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester Tetramethyl (1Z,3E)-5-(3,3-dimethyl-4H-isoquinolin-1-yl)penta-1,3-diene-1,2,3,4-tetracarboxylate
Wiley ID 1440334