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3-Chloro-5-{(2E,6E)-7-[4-(2,2-dimethyl-propionyloxy)-5,5-dimethyl-2,5-dihydro-furan-2-yl]-3-methyl-octa-2,6-dienyl}-4,6-dimethoxy-2-methyl-benzoic acid methyl ester
SpectraBase Compound ID fWLPsLQu6E
InChI InChI=1S/C31H43ClO7/c1-18(15-16-21-26(35-9)24(28(33)37-11)20(3)25(32)27(21)36-10)13-12-14-19(2)22-17-23(31(7,8)39-22)38-29(34)30(4,5)6/h14-15,17,22H,12-13,16H2,1-11H3/b18-15+,19-14+
InChIKey HIJLFIRDUYYCLK-HTGWJEPXSA-N
Mol Weight 563.1 g/mol
Molecular Formula C31H43ClO7
Exact Mass 562.269731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kK5iuauwBm
Name 3-Chloro-5-{(2E,6E)-7-[4-(2,2-dimethyl-propionyloxy)-5,5-dimethyl-2,5-dihydro-furan-2-yl]-3-methyl-octa-2,6-dienyl}-4,6-dimethoxy-2-methyl-benzoic acid methyl ester
Alternate Name(s) Methyl 3-chloro-5-((2E,6E)-7-{4-[(2,2-dimethylpropanoyl)oxy]-5,5-dimethyl-2,5-dihydro-2-furanyl}-3-methyl-2,6-octadienyl)-4,6-dimethoxy-2-methylbenzoate Methyl 3-Chloro-5-[(E,E)-7-(2,5-dihydro-5,5-dimethyl-4-pivaloyloxy-2-yl)-3-methylocta-2-6,dienyl]-4,6-dimethoxy-2-methylbenzoate Methyl 3-Chloro-5-[(E,E)-7-(2,5-dihydro-5,5-dimethyl-4-pivaloyloxy-furan-2-yl)-3-methylocta-2-6,dienyl]-4,6-dimethoxy-2-methylbenzoate
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Formula C31H43ClO7
InChI InChI=1S/C31H43ClO7/c1-18(15-16-21-26(35-9)24(28(33)37-11)20(3)25(32)27(21)36-10)13-12-14-19(2)22-17-23(31(7,8)39-22)38-29(34)30(4,5)6/h14-15,17,22H,12-13,16H2,1-11H3/b18-15+,19-14+
InChIKey HIJLFIRDUYYCLK-HTGWJEPXSA-N
Molecular Weight 563.131 g/mol
SMILES c1(c(c(C\C=C\(CC\C=C\(C2C=C(OC(C(C)(C)C)=O)C(O2)(C)C)C)C)c(c(c1C)Cl)OC)OC)C(=O)OC
SPLASH splash10-0a4i-9220000000-ff48432c84404d07f513
Source of Spectrum AJ-68-2731-18
Wiley ID 773363