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Dimethyl (E)-2-(4'-chlorophenyl)ethenyl]-6,8,10-trimethylheptalene-1,2-dicarboxylate
SpectraBase Compound ID KD23WmvyiRu
InChI InChI=1S/C27H25ClO4/c1-16-14-17(2)23-20(9-6-19-7-11-21(28)12-8-19)10-13-22(26(29)31-4)25(27(30)32-5)24(23)18(3)15-16/h6-15H,1-5H3/b9-6+
InChIKey NLCDOHDJTVPOMS-RMKNXTFCSA-N
Mol Weight 448.95 g/mol
Molecular Formula C27H25ClO4
Exact Mass 448.144137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll14i1UUc65
Name Dimethyl (E)-2-(4'-chlorophenyl)ethenyl]-6,8,10-trimethylheptalene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25ClO4
InChI InChI=1S/C27H25ClO4/c1-16-14-17(2)23-20(9-6-19-7-11-21(28)12-8-19)10-13-22(26(29)31-4)25(27(30)32-5)24(23)18(3)15-16/h6-15H,1-5H3/b9-6+
InChIKey NLCDOHDJTVPOMS-RMKNXTFCSA-N
Molecular Weight 448.946 g/mol
SMILES C12=C(C(=CC=C(C2=C(C=C(C=C1C)C)C)\C=C\c1ccc(cc1)Cl)C(=O)OC)C(=O)OC
SPLASH splash10-0zgs-0029400000-2f8593d79a6db83365c9
Source of Spectrum H-77-1962-0
Synonyms Dimethyl (E)-5-(4'-chlorophenyl)ethenyl]-6,8,10-trimethylheptalene-1,2-dicarboxylate 5-[(E)-2-(4-chlorophenyl)ethenyl]-6,8,10-trimethylheptalene-1,2-dicarboxylic acid dimethyl ester Dimethyl 5-[(E)-2-(4-chlorophenyl)ethenyl]-6,8,10-trimethylheptalene-1,2-dicarboxylate Dimethyl 5-[(E)-2-(4-chlorophenyl)vinyl]-6,8,10-trimethyl-heptalene-1,2-dicarboxylate Dimethyl 5-[(E)-2-(4-chlorophenyl)ethenyl]-6,8,10-trimethyl-heptalene-1,2-dicarboxylate
Wiley ID 1387267