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Methyl 17-(3,5-bromo-4-methoxyphenyl)-heptadecol-4,6,8,10,12,14,16-octaenoate

View entire compound with spectra: 1 MS (GC)

Methyl 17-(3,5-bromo-4-methoxyphenyl)-heptadecol-4,6,8,10,12,14,16-octaenoate
SpectraBase Compound ID 9OwsZmY7xuc
InChI InChI=1S/C25H26Br2O3/c1-29-24(28)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-19-22(26)25(30-2)23(27)20-21/h3-15,17,19-20H,16,18H2,1-2H3/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+,17-15+
InChIKey DAMVRBOOLOEVGJ-MSSSPECSSA-N
Mol Weight 534.29 g/mol
Molecular Formula C25H26Br2O3
Exact Mass 532.024871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TbIoC9JpY
Name Methyl 17-(3,5-bromo-4-methoxyphenyl)-heptadecol-4,6,8,10,12,14,16-octaenoate
Alternate Name(s) Methyl (4E,6E,8E,10E,12E,14E,16E)-17-(3,5-dibromo-4-methoxyphenyl)-4,6,8,10,12,14,16-heptadecaheptaenoate
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Formula C25H26Br2O3
InChI InChI=1S/C25H26Br2O3/c1-29-24(28)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-19-22(26)25(30-2)23(27)20-21/h3-15,17,19-20H,16,18H2,1-2H3/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+,17-15+
InChIKey DAMVRBOOLOEVGJ-MSSSPECSSA-N
Molecular Weight 534.288 g/mol
SMILES c1(c(cc(cc1Br)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\CCC(=O)OC)Br)OC
SPLASH splash10-001i-0043190000-bdfb1df93e076a39b221
Source of Spectrum S-27-2577-3
Wiley ID 1403558