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Dimethyl 6-[4'-phenylbuta-1',3'-dienyl]-9-methylheptalene-4,5-dicarboxylate
SpectraBase Compound ID C74MCdXMwek
InChI InChI=1S/C27H24O4/c1-19-16-17-21(13-8-7-12-20-10-5-4-6-11-20)24-22(18-19)14-9-15-23(26(28)30-2)25(24)27(29)31-3/h4-18H,1-3H3/b12-7+,13-8+
InChIKey AERQALXUCNUYKE-INOXDZRUSA-N
Mol Weight 412.49 g/mol
Molecular Formula C27H24O4
Exact Mass 412.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KowCDf6cFJB
Name Dimethyl 6-[4'-phenylbuta-1',3'-dienyl]-9-methylheptalene-4,5-dicarboxylate
Alternate Name(s) Dimethyl 7-methyl-10-[(1E,3E)-4-phenyl-1,3-butadienyl]-1,2-heptalenedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O4
InChI InChI=1S/C27H24O4/c1-19-16-17-21(13-8-7-12-20-10-5-4-6-11-20)24-22(18-19)14-9-15-23(26(28)30-2)25(24)27(29)31-3/h4-18H,1-3H3/b12-7+,13-8+
InChIKey AERQALXUCNUYKE-INOXDZRUSA-N
Molecular Weight 412.485 g/mol
SMILES C=1(C=2C(C=C(C)C=CC2\C=C\C=C\c2ccccc2)=CC=CC1C(=O)OC)C(=O)OC
SPLASH splash10-0w90-0009400000-81c387eabc47c829e221
Source of Spectrum H-82-1704-28
Wiley ID 815708