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6,8,10-trimethyl-5-[(E)-2-phenylethenyl]heptalene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EofD5BUzL3A
InChI InChI=1S/C27H26O4/c1-17-15-18(2)23-21(12-11-20-9-7-6-8-10-20)13-14-22(26(28)30-4)25(27(29)31-5)24(23)19(3)16-17/h6-16H,1-5H3/b12-11+
InChIKey YEJMVNRHOHAPCD-VAWYXSNFSA-N
Mol Weight 414.5 g/mol
Molecular Formula C27H26O4
Exact Mass 414.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13vFHGdZEe
Name 6,8,10-trimethyl-5-[(E)-2-phenylethenyl]heptalene-1,2-dicarboxylic acid dimethyl ester
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Formula C27H26O4
InChI InChI=1S/C27H26O4/c1-17-15-18(2)23-21(12-11-20-9-7-6-8-10-20)13-14-22(26(28)30-4)25(27(29)31-5)24(23)19(3)16-17/h6-16H,1-5H3/b12-11+
InChIKey YEJMVNRHOHAPCD-VAWYXSNFSA-N
Molecular Weight 414.501 g/mol
SMILES C12=C(C(=CC=C(C2=C(C=C(C=C1C)C)C)\C=C\c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0301-0089200000-f352e9a75f28c1aa4698
Source of Spectrum H-77-1960-15
Synonyms 6,8,10-trimethyl-5-[(E)-styryl]heptalene-1,2-dicarboxylic acid dimethyl ester Dimethyl 6,8,10-trimethyl-5-[(E)-2-phenylethenyl]heptalene-1,2-dicarboxylate Dimethyl 6,8,10-trimethyl-5-[(E)-styryl]heptalene-1,2-dicarboxylate
Wiley ID 1375648