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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 20Bjxr3Uytn
Name (E)-3-[2-(beta-N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxy-benzylidenyl]-6,7-dimethoxy-1(3H)-isobenzofuranone
Alternate Name(s) Ethyl (E)-(2-(6-((4,5-dimethoxy-3-oxoisobenzofuran-1(3H)-ylidene)methyl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)(methyl)carbamate
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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
Literature Reference DOI 10.1002/ardp.19933260416
Molecular Weight 485.489 g/mol
SMILES c12cc(c(c(c2OCO1)OC)\C=C/1c2ccc(c(c2C(O1)=O)OC)OC)CCN(C(OCC)=O)C
SPLASH splash10-001i-0269200000-84bd06f737572c1703f2
Source of Spectrum APC-326-252-3
Wiley ID 1799106