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Methyl 4-[(2'-benzoyloxy-5'-[2"-(1"',3"'-dioxolan-2"'-yl)-4"-methoxyphenoxy]phenyl-1'-ethenylphenoxy}-benzoate
SpectraBase Compound ID 8mqlTp1tDp6
InChI InChI=1S/C39H32O9/c1-42-31-18-20-34(33(25-31)39-44-21-22-45-39)47-32-10-6-7-26(23-32)11-12-27-13-19-35(48-38(41)28-8-4-3-5-9-28)36(24-27)46-30-16-14-29(15-17-30)37(40)43-2/h3-20,23-25,39H,21-22H2,1-2H3/b12-11-
InChIKey YDHTVHARAUORIH-QXMHVHEDSA-N
Mol Weight 644.7 g/mol
Molecular Formula C39H32O9
Exact Mass 644.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiraPEPf5HH
Name Methyl 4-[(2'-benzoyloxy-5'-[2"-(1"',3"'-dioxolan-2"'-yl)-4"-methoxyphenoxy]phenyl-1'-ethenylphenoxy}-benzoate
Alternate Name(s) Methyl 4-[(2'-benzoyloxy-5'-[2''-(1''',3'''-dioxolan-2'''-yl)-4''-methoxyphenoxy]phenyl-1'-ethenylphenoxy}-benzoate
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Formula C39H32O9
InChI InChI=1S/C39H32O9/c1-42-31-18-20-34(33(25-31)39-44-21-22-45-39)47-32-10-6-7-26(23-32)11-12-27-13-19-35(48-38(41)28-8-4-3-5-9-28)36(24-27)46-30-16-14-29(15-17-30)37(40)43-2/h3-20,23-25,39H,21-22H2,1-2H3/b12-11-
InChIKey YDHTVHARAUORIH-QXMHVHEDSA-N
Molecular Weight 644.676 g/mol
SMILES c1(c(Oc2cc(\C=C/c3cc(Oc4ccc(C(=O)OC)cc4)c(OC(=O)c4ccccc4)cc3)ccc2)ccc(c1)OC)C1OCCO1
SPLASH splash10-0a4j-1973000000-80d8498f8d4c310d184d
Source of Spectrum U1-1998-882-17
Wiley ID 751209