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1-(2-CARBOXY3,4-METHYLENEDIOXYPHENYLCARBONYL)-6,7-DIMETHOXYISOQUINOLINE;FUMAFLORINE
SpectraBase Compound ID CPYABd36nZY
InChI InChI=1S/C20H15NO7/c1-25-14-7-10-5-6-21-17(12(10)8-15(14)26-2)18(22)11-3-4-13-19(28-9-27-13)16(11)20(23)24/h3-8H,9H2,1-2H3,(H,23,24)
InChIKey RIRBRHSYPZRZKV-UHFFFAOYSA-N
Mol Weight 381.34 g/mol
Molecular Formula C20H15NO7
Exact Mass 381.084852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID P8eGP1SqyN
Name 5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylic acid
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Formula C20H15NO7
InChI InChI=1S/C20H15NO7/c1-25-14-7-10-5-6-21-17(12(10)8-15(14)26-2)18(22)11-3-4-13-19(28-9-27-13)16(11)20(23)24/h3-8H,9H2,1-2H3,(H,23,24)
InChIKey RIRBRHSYPZRZKV-UHFFFAOYSA-N
Molecular Weight 381.340 g/mol
SMILES OC(c1c(C(c2c3cc(OC)c(cc3ccn2)OC)=O)ccc2c1OCO2)=O
SPLASH splash10-000i-0009000000-5f337fec9d950881eaf8
Source of Spectrum G-61-1068-6
Synonyms 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid 5-[(6,7-dimethoxy-1-isoquinolinyl)-oxomethyl]-1,3-benzodioxole-4-carboxylic acid
Wiley ID 749155