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1-(2-METHOXYCARBONYL-3,4-METHYLENEDIOXYPHENYLCARBONYL)-6,7-DIMETHOXYISOQUINOLINE;FUMAFLORINE-O-METHYLESTER
SpectraBase Compound ID KNSjWYbjxNe
InChI InChI=1S/C21H17NO7/c1-25-15-8-11-6-7-22-18(13(11)9-16(15)26-2)19(23)12-4-5-14-20(29-10-28-14)17(12)21(24)27-3/h4-9H,10H2,1-3H3
InChIKey YSVHFDWCDJQIJF-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C21H17NO7
Exact Mass 395.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJrxvL9Ncw1
Name 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid methyl ester
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Formula C21H17NO7
InChI InChI=1S/C21H17NO7/c1-25-15-8-11-6-7-22-18(13(11)9-16(15)26-2)19(23)12-4-5-14-20(29-10-28-14)17(12)21(24)27-3/h4-9H,10H2,1-3H3
InChIKey YSVHFDWCDJQIJF-UHFFFAOYSA-N
Molecular Weight 395.367 g/mol
SMILES c1(c(C(c2c3cc(OC)c(cc3ccn2)OC)=O)ccc2c1OCO2)C(=O)OC
SPLASH splash10-000i-0009000000-a3d0956cbf63de415959
Source of Spectrum G-61-1067-5
Synonyms 5-[(6,7-dimethoxy-1-isoquinolinyl)-oxomethyl]-1,3-benzodioxole-4-carboxylic acid methyl ester Methyl 5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylate Methyl 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylate
Wiley ID 749156