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6-(3-Cyano-4-(6-(2-((E)-1-(methoxycarbonyl)-2-methoxyvinyl) phenoxy)pyrimidin-4-yloxy)phenyl)hexanoic acid
SpectraBase Compound ID 2pK7xjvirEU
InChI InChI=1S/C28H27N3O7/c1-35-17-22(28(34)36-2)21-9-6-7-10-24(21)38-26-15-25(30-18-31-26)37-23-13-12-19(14-20(23)16-29)8-4-3-5-11-27(32)33/h6-7,9-10,12-15,17-18H,3-5,8,11H2,1-2H3,(H,32,33)/b22-17+
InChIKey JLDYNVIIBYUXGS-OQKWZONESA-N
Mol Weight 517.54 g/mol
Molecular Formula C28H27N3O7
Exact Mass 517.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJQmsldnRMO
Name 6-(3-Cyano-4-(6-(2-((E)-1-(methoxycarbonyl)-2-methoxyvinyl) phenoxy)pyrimidin-4-yloxy)phenyl)hexanoic acid
Alternate Name(s) 6-[3-cyano-4-[[6-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy]-4-pyrimidinyl]oxy]phenyl]hexanoic acid 6-[3-cyano-4-[6-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]hexanoic acid 6-[3-cyano-4-[6-[2-[(E)-2-methoxy-1-methoxycarbonyl-vinyl]phenoxy]pyrimidin-4-yl]oxy-phenyl]hexanoic acid 6-[3-cyano-4-[6-[2-[(E)-1,3-dimethoxy-3-oxidanylidene-prop-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxy-phenyl]hexanoic acid
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Formula C28H27N3O7
InChI InChI=1S/C28H27N3O7/c1-35-17-22(28(34)36-2)21-9-6-7-10-24(21)38-26-15-25(30-18-31-26)37-23-13-12-19(14-20(23)16-29)8-4-3-5-11-27(32)33/h6-7,9-10,12-15,17-18H,3-5,8,11H2,1-2H3,(H,32,33)/b22-17+
InChIKey JLDYNVIIBYUXGS-OQKWZONESA-N
Molecular Weight 517.538 g/mol
SMILES OC(CCCCCc1ccc(c(C#N)c1)Oc1cc(Oc2c(\C(C(=O)OC)=C/OC)cccc2)ncn1)=O
SPLASH splash10-0pb9-0000950000-e8ccf189fb5cf6954063
Source of Spectrum F-67-633-4
Wiley ID 1685461