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Methyl 1-{4-Methoxy-3-chloro-6-[2-[3-(2'-methoxy-3'-chloro-5'-(1,3-dioxan-2-yl)phenyl)-4-methoxyphenyl]ethyl]phenyl}-2-methoxybenzene-4-carboxylate
SpectraBase Compound ID LDegt17VJ2h
InChI InChI=1S/C36H36Cl2O8/c1-40-31-12-8-21(15-27(31)28-16-24(17-30(38)34(28)43-4)36-45-13-6-14-46-36)7-9-22-18-33(42-3)29(37)20-26(22)25-11-10-23(35(39)44-5)19-32(25)41-2/h8,10-12,15-20,36H,6-7,9,13-14H2,1-5H3
InChIKey UZBXFQDNUQXARZ-UHFFFAOYSA-N
Mol Weight 667.6 g/mol
Molecular Formula C36H36Cl2O8
Exact Mass 666.178724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgYpl1p5slg
Name Methyl 1-{4-Methoxy-3-chloro-6-[2-[3-(2'-methoxy-3'-chloro-5'-(1,3-dioxan-2-yl)phenyl)-4-methoxyphenyl]ethyl]phenyl}-2-methoxybenzene-4-carboxylate
Alternate Name(s) methyl 3'-chloro-6'-{2-[3'-chloro-5'-(1,3-dioxan-2-yl)-2',6-dimethoxy[1,1'-biphenyl]-3-yl]ethyl}-2,4'-dimethoxy[1,1'-biphenyl]-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C36H36Cl2O8
InChI InChI=1S/C36H36Cl2O8/c1-40-31-12-8-21(15-27(31)28-16-24(17-30(38)34(28)43-4)36-45-13-6-14-46-36)7-9-22-18-33(42-3)29(37)20-26(22)25-11-10-23(35(39)44-5)19-32(25)41-2/h8,10-12,15-20,36H,6-7,9,13-14H2,1-5H3
InChIKey UZBXFQDNUQXARZ-UHFFFAOYSA-N
Molecular Weight 667.582 g/mol
SMILES c1(-c2c(ccc(c2)CCc2c(-c3c(cc(C(=O)OC)cc3)OC)cc(c(c2)OC)Cl)OC)c(c(Cl)cc(c1)C1OCCCO1)OC
SPLASH splash10-014i-0000009000-721dc916869b985c8130
Source of Spectrum CV-2002-2509-49
Wiley ID 1610490