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Dimethyl 1-(chloromethyl)-9-isopropyl-6-[2'-phenylethenyl]heptalene-4,5-dicarboxylate
SpectraBase Compound ID APeRUKJFIgn
InChI InChI=1S/C28H27ClO4/c1-18(2)21-13-12-20(11-10-19-8-6-5-7-9-19)25-24(16-21)22(17-29)14-15-23(27(30)32-3)26(25)28(31)33-4/h5-16,18H,17H2,1-4H3/b11-10+
InChIKey ZHYAMEZIAZUUQT-ZHACJKMWSA-N
Mol Weight 462.97 g/mol
Molecular Formula C28H27ClO4
Exact Mass 462.159787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36yyGEMyJdg
Name Dimethyl 1-(chloromethyl)-9-isopropyl-6-[2'-phenylethenyl]heptalene-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27ClO4
InChI InChI=1S/C28H27ClO4/c1-18(2)21-13-12-20(11-10-19-8-6-5-7-9-19)25-24(16-21)22(17-29)14-15-23(27(30)32-3)26(25)28(31)33-4/h5-16,18H,17H2,1-4H3/b11-10+
InChIKey ZHYAMEZIAZUUQT-ZHACJKMWSA-N
Molecular Weight 462.973 g/mol
SMILES C1=2C(C=C(C(C)C)C=CC2\C=C\c2ccccc2)=C(C=CC(=C1C(=O)OC)C(=O)OC)CCl
SPLASH splash10-0imi-0000900000-c0d60c0ef60426a134d4
Source of Spectrum H-82-2268-5
Synonyms Dimethyl 5-(chloromethyl)-7-isopropyl-10-[(E)-2-phenylethenyl]-1,2-heptalenedicarboxylate
Wiley ID 815654