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Dimethyl 8-(t-butyl)-1,10-dimethyl-6-[2'-(4"-methoxyphenyl)ethenyl]heptalene-4,5-dicarboxylate
SpectraBase Compound ID 6Ae6DCRHfXz
InChI InChI=1S/C31H34O5/c1-19-9-16-25(29(32)35-7)28(30(33)36-8)27-22(13-10-21-11-14-24(34-6)15-12-21)18-23(31(3,4)5)17-20(2)26(19)27/h9-18H,1-8H3/b13-10+
InChIKey WBZMZMXOXKVSKH-JLHYYAGUSA-N
Mol Weight 486.6 g/mol
Molecular Formula C31H34O5
Exact Mass 486.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E94OEKZSbBK
Name Dimethyl 8-(t-butyl)-1,10-dimethyl-6-[2'-(4"-methoxyphenyl)ethenyl]heptalene-4,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C31H34O5
InChI InChI=1S/C31H34O5/c1-19-9-16-25(29(32)35-7)28(30(33)36-8)27-22(13-10-21-11-14-24(34-6)15-12-21)18-23(31(3,4)5)17-20(2)26(19)27/h9-18H,1-8H3/b13-10+
InChIKey WBZMZMXOXKVSKH-JLHYYAGUSA-N
Molecular Weight 486.608 g/mol
SMILES C=12C(=C(C=CC(=C2C(=CC(=CC1\C=C\c1ccc(cc1)OC)C(C)(C)C)C)C)C(=O)OC)C(=O)OC
SPLASH splash10-004i-0000900000-9fc0696e2f04ac8b8425
Source of Spectrum H-82-1700-2
Synonyms dimethyl 8-tert-butyl-10-[(E)-2-(4-methoxyphenyl)ethenyl]-5,6-dimethyl-1,2-heptalenedicarboxylate
Wiley ID 815719