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Dimethyl 1-(chloromethyl)-9-isopropyl-6-[2'-(4'-methoxyphenyl)ethenyl]heptalene-4,5-dicarboxylate
SpectraBase Compound ID DLGQY7sl6bz
InChI InChI=1S/C29H29ClO5/c1-18(2)21-11-10-20(9-6-19-7-13-23(33-3)14-8-19)26-25(16-21)22(17-30)12-15-24(28(31)34-4)27(26)29(32)35-5/h6-16,18H,17H2,1-5H3/b9-6+
InChIKey HVADBDKVTRNWJT-RMKNXTFCSA-N
Mol Weight 493.0 g/mol
Molecular Formula C29H29ClO5
Exact Mass 492.170352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjeN5OACau6
Name Dimethyl 1-(chloromethyl)-9-isopropyl-6-[2'-(4'-methoxyphenyl)ethenyl]heptalene-4,5-dicarboxylate
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Formula C29H29ClO5
InChI InChI=1S/C29H29ClO5/c1-18(2)21-11-10-20(9-6-19-7-13-23(33-3)14-8-19)26-25(16-21)22(17-30)12-15-24(28(31)34-4)27(26)29(32)35-5/h6-16,18H,17H2,1-5H3/b9-6+
InChIKey HVADBDKVTRNWJT-RMKNXTFCSA-N
Molecular Weight 492.999 g/mol
SMILES C1=2C(C=C(C(C)C)C=CC2\C=C\c2ccc(cc2)OC)=C(C=CC(=C1C(=O)OC)C(=O)OC)CCl
SPLASH splash10-053u-0000900000-4e59f32473a0ab132c86
Source of Spectrum H-82-2269-5
Synonyms Dimethyl 5-(chloromethyl)-7-isopropyl-10-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2-heptalenedicarboxylate
Wiley ID 815653