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(-)-3-{[2-(N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]chloromethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone
SpectraBase Compound ID 8nAuqkTUSH8
InChI InChI=1S/C25H28ClNO9/c1-6-33-25(29)27(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(26)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20H,6,9-10,12H2,1-5H3
InChIKey YKGXLAZCNWSZTB-UHFFFAOYSA-N
Mol Weight 521.95 g/mol
Molecular Formula C25H28ClNO9
Exact Mass 521.145259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6GVFQAQToP
Name (-)-3-{[2-(N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]chloromethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone
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Formula C25H28ClNO9
InChI InChI=1S/C25H28ClNO9/c1-6-33-25(29)27(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(26)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20H,6,9-10,12H2,1-5H3
InChIKey YKGXLAZCNWSZTB-UHFFFAOYSA-N
Molecular Weight 521.950 g/mol
SMILES c12C(OC(c2ccc(c1OC)OC)C(c1c(c2OCOc2cc1CCN(C(=O)OCC)C)OC)Cl)=O
SPLASH splash10-00yu-0698000000-bad575f24b83a2c03a9c
Source of Spectrum E1-39-1948-5
Synonyms (-)-3-{[2-(.beta.-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]chloromethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone Ethyl 2-{6-[chloro(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl(methyl)carbamate
Wiley ID 1518928