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4-[5-chloro-2-[2-[3-[5-(1,3-dioxan-2-yl)-2-methoxy-phenyl]-4-methoxy-phenyl]ethyl]-4-methoxy-phenyl]-3-methoxy-benzoic acid methyl ester
SpectraBase Compound ID KBitdiYm1Dd
InChI InChI=1S/C36H37ClO8/c1-39-31-13-8-22(17-28(31)29-18-25(11-14-32(29)40-2)36-44-15-6-16-45-36)7-9-23-19-34(42-4)30(37)21-27(23)26-12-10-24(35(38)43-5)20-33(26)41-3/h8,10-14,17-21,36H,6-7,9,15-16H2,1-5H3
InChIKey VZURODNCDMXBOT-UHFFFAOYSA-N
Mol Weight 633.1 g/mol
Molecular Formula C36H37ClO8
Exact Mass 632.217696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPIlawUKqw3
Name 4-[5-chloro-2-[2-[3-[5-(1,3-dioxan-2-yl)-2-methoxy-phenyl]-4-methoxy-phenyl]ethyl]-4-methoxy-phenyl]-3-methoxy-benzoic acid methyl ester
Alternate Name(s) methyl 4-[5-chloranyl-2-[2-[3-[5-(1,3-dioxan-2-yl)-2-methoxy-phenyl]-4-methoxy-phenyl]ethyl]-4-methoxy-phenyl]-3-methoxy-benzoate methyl 4-[5-chloro-2-[2-[3-[5-(1,3-dioxan-2-yl)-2-methoxy-phenyl]-4-methoxy-phenyl]ethyl]-4-methoxy-phenyl]-3-methoxy-benzoate 4-[5-chloro-2-[2-[3-[5-(1,3-dioxan-2-yl)-2-methoxyphenyl]-4-methoxyphenyl]ethyl]-4-methoxyphenyl]-3-methoxybenzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C36H37ClO8
InChI InChI=1S/C36H37ClO8/c1-39-31-13-8-22(17-28(31)29-18-25(11-14-32(29)40-2)36-44-15-6-16-45-36)7-9-23-19-34(42-4)30(37)21-27(23)26-12-10-24(35(38)43-5)20-33(26)41-3/h8,10-14,17-21,36H,6-7,9,15-16H2,1-5H3
InChIKey VZURODNCDMXBOT-UHFFFAOYSA-N
Molecular Weight 633.137 g/mol
SMILES c1(-c2c(cc(C(=O)OC)cc2)OC)c(cc(c(c1)Cl)OC)CCc1cc(-c2cc(C3OCCCO3)ccc2OC)c(cc1)OC
SPLASH splash10-001i-0000009000-7b4a171bc44a1a7590e9
Source of Spectrum CV-2002-2509-47
Wiley ID 1610491