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Di-tert-Butyl (E,E)-4,4'-Bis[(2'-bromo-5'-isopropoxyphenyl)-1-yl-3-methoxycarbonylbut-3-enoate]
SpectraBase Compound ID 1GNN5IzCOBH
InChI InChI=1S/C38H48Br2O10/c1-21(2)47-31-15-23(13-25(35(43)45-11)17-33(41)49-37(5,6)7)29(39)19-27(31)28-20-30(40)24(16-32(28)48-22(3)4)14-26(36(44)46-12)18-34(42)50-38(8,9)10/h13-16,19-22H,17-18H2,1-12H3/b25-13+,26-14+
InChIKey GPODGJMOVKAIES-BKHCZYBLSA-N
Mol Weight 824.6 g/mol
Molecular Formula C38H48Br2O10
Exact Mass 822.161424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gnt8EoNqVa
Name Di-tert-Butyl (E,E)-4,4'-Bis[(2'-bromo-5'-isopropoxyphenyl)-1-yl-3-methoxycarbonylbut-3-enoate]
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Formula C38H48Br2O10
InChI InChI=1S/C38H48Br2O10/c1-21(2)47-31-15-23(13-25(35(43)45-11)17-33(41)49-37(5,6)7)29(39)19-27(31)28-20-30(40)24(16-32(28)48-22(3)4)14-26(36(44)46-12)18-34(42)50-38(8,9)10/h13-16,19-22H,17-18H2,1-12H3/b25-13+,26-14+
InChIKey GPODGJMOVKAIES-BKHCZYBLSA-N
Molecular Weight 824.600 g/mol
SMILES c1(-c2c(cc(\C=C\(C(=O)OC)CC(OC(C)(C)C)=O)c(c2)Br)OC(C)C)c(cc(\C=C\(C(=O)OC)CC(OC(C)(C)C)=O)c(c1)Br)OC(C)C
SPLASH splash10-0a4i-9000041110-9aaa49759995dba0d840
Source of Spectrum SO-0-386-10
Synonyms (2E)-2-[[2-bromo-4-[5-bromo-4-[(E)-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-1-enyl]-2-propan-2-yloxyphenyl]-5-propan-2-yloxyphenyl]methylidene]butanedioic acid O4-tert-butyl ester O1-methyl ester 4-O-tert-butyl 1-O-methyl (2E)-2-[[2-bromo-4-[5-bromo-4-[(E)-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-1-enyl]-2-propan-2-yloxyphenyl]-5-propan-2-yloxyphenyl]methylidene]butanedioate O4-tert-butyl O1-methyl (2E)-2-[[2-bromo-4-[5-bromo-4-[(E)-4-tert-butoxy-2-methoxycarbonyl-4-oxo-but-1-enyl]-2-isopropoxy-phenyl]-5-isopropoxy-phenyl]methylene]butanedioate O4-tert-butyl O1-methyl (2E)-2-[[2-bromanyl-4-[5-bromanyl-4-[(E)-2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-but-1-enyl]-2-propan-2-yloxy-phenyl]-5-propan-2-yloxy-phenyl]methylidene]butanedioate
Wiley ID 877392