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Mixture of 2-(9-me-decyl)-5-pentyl- and 2-decyl-5-(4-me-pentyl)-3-meo-phenyl 15-(4-meo-phenyl)-2,4,6,8,10,12,14-pentadecaheptaencarboxylates

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Mixture of 2-(9-me-decyl)-5-pentyl- and 2-decyl-5-(4-me-pentyl)-3-meo-phenyl 15-(4-meo-phenyl)-2,4,6,8,10,12,14-pentadecaheptaencarboxylates
SpectraBase Compound ID FK5RVRJKx0v
InChI InChI=1S/C45H60O4/c1-6-7-8-9-10-15-19-22-26-40(34-38(2)3)37-49-45(46)36-42(41-28-24-29-44(35-41)48-5)27-23-20-17-14-12-11-13-16-18-21-25-39-30-32-43(47-4)33-31-39/h11-14,16-18,20-21,23-25,27-33,35-36,38,40H,6-10,15,19,22,26,34,37H2,1-5H3/b13-11+,14-12+,18-16+,20-17+,25-21+,27-23+,42-36-
InChIKey JYKDQTILBRRDSJ-UPCHLXELSA-N
Mol Weight 665.0 g/mol
Molecular Formula C45H60O4
Exact Mass 664.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmtEz5cHqwX
Name Mixture of 2-(9-me-decyl)-5-pentyl- and 2-decyl-5-(4-me-pentyl)-3-meo-phenyl 15-(4-meo-phenyl)-2,4,6,8,10,12,14-pentadecaheptaencarboxylates
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Formula C45H60O4
InChI InChI=1S/C45H60O4/c1-6-7-8-9-10-15-19-22-26-40(34-38(2)3)37-49-45(46)36-42(41-28-24-29-44(35-41)48-5)27-23-20-17-14-12-11-13-16-18-21-25-39-30-32-43(47-4)33-31-39/h11-14,16-18,20-21,23-25,27-33,35-36,38,40H,6-10,15,19,22,26,34,37H2,1-5H3/b13-11+,14-12+,18-16+,20-17+,25-21+,27-23+,42-36-
InChIKey JYKDQTILBRRDSJ-UPCHLXELSA-N
Molecular Weight 664.971 g/mol
SMILES C(\C=C/(c1cc(OC)ccc1)\C=C\C=C\C=C\C=C\C=C\C=C\c1ccc(cc1)OC)(=O)OCC(CC(C)C)CCCCCCCCCC
SPLASH splash10-00dv-0393000000-391575df96b830fd3e41
Source of Spectrum K-112-2006-0
Synonyms 2-isobutyldodecyl (2Z,4E,6E,8E,10E,12E,14E)-3-(3-methoxyphenyl)-15-(4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate
Wiley ID 1413721