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(E)-3-[2'-(.beta.-Ethoxycarbonyl)-N-methylaminoethyl)-6'-methoxy-4',5'-methylenedioxy-benzylidenyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
SpectraBase Compound ID 1ZwcZHZkUDD
InChI InChI=1S/C25H27NO9/c1-6-32-25(28)26(2)10-9-14-11-19-23(34-13-33-19)21(30-4)16(14)12-18-15-7-8-17(29-3)22(31-5)20(15)24(27)35-18/h7-8,11-12H,6,9-10,13H2,1-5H3/b18-12+
InChIKey VETCWFLXUMOFET-LDADJPATSA-N
Mol Weight 485.49 g/mol
Molecular Formula C25H27NO9
Exact Mass 485.168581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXgX26EphAN
Name (E)-3-[2'-(.beta.-Ethoxycarbonyl)-N-methylaminoethyl)-6'-methoxy-4',5'-methylenedioxy-benzylidenyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
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Formula C25H27NO9
InChI InChI=1S/C25H27NO9/c1-6-32-25(28)26(2)10-9-14-11-19-23(34-13-33-19)21(30-4)16(14)12-18-15-7-8-17(29-3)22(31-5)20(15)24(27)35-18/h7-8,11-12H,6,9-10,13H2,1-5H3/b18-12+
InChIKey VETCWFLXUMOFET-LDADJPATSA-N
Molecular Weight 485.489 g/mol
SMILES c12C(O\C(c2ccc(c1OC)OC)=C/c1c(c2OCOc2cc1CCN(C(=O)OCC)C)OC)=O
SPLASH splash10-003r-0289200000-a6973be749799a0fa3b6
Source of Spectrum D8-326-252-0
Synonyms (E)-3-[2-(N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxybenzylidene]-6,7-dimethoxy-1(3H)-isobenzofuranone isomer (E)-3-[2-(.beta.-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxybenzylidene]-6,7-dimethoxy-1(3H)-isobenzofuranone isomer Ethyl 2-{6-[(E)-(4,5-dimethoxy-3-oxo-2-benzofuran-1(3H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl(methyl)carbamate
Wiley ID 1514740