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2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 2-dodecyl-3-methoxy-5-methylphenyl ester
SpectraBase Compound ID B9KEID0KdKu
InChI InChI=1S/C44H56O4/c1-5-6-7-8-9-10-18-21-24-27-30-41-42(47-4)36-38(2)37-43(41)48-44(45)31-28-25-22-19-16-14-12-11-13-15-17-20-23-26-29-39-32-34-40(46-3)35-33-39/h11-17,19-20,22-23,25-26,28-29,31-37H,5-10,18,21,24,27,30H2,1-4H3/b13-11+,14-12+,17-15+,19-16+,23-20+,25-22+,29-26+,31-28-
InChIKey OIGDSLNQGFUFDD-VXLGQFJQSA-N
Mol Weight 648.9 g/mol
Molecular Formula C44H56O4
Exact Mass 648.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e3TQD84Fo8
Name 2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 17-(4-methoxyphenyl)-, 2-dodecyl-3-methoxy-5-methylphenyl ester
Alternate Name(s) 2-Dodecyl-3-methoxy-5-methylphenyl (2Z,4E,6E,8E,10E,12E,14E,16E)-17-(4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoate 2-Dodecyl-3-methoxy-5-methylphenylester of 17-(4-methoxyphenyl)-2,4,6,8,10,12,14,16-heptadecaoctaenoic acid
CAS Registry Number 78368-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56O4
InChI InChI=1S/C44H56O4/c1-5-6-7-8-9-10-18-21-24-27-30-41-42(47-4)36-38(2)37-43(41)48-44(45)31-28-25-22-19-16-14-12-11-13-15-17-20-23-26-29-39-32-34-40(46-3)35-33-39/h11-17,19-20,22-23,25-26,28-29,31-37H,5-10,18,21,24,27,30H2,1-4H3/b13-11+,14-12+,17-15+,19-16+,23-20+,25-22+,29-26+,31-28-
InChIKey OIGDSLNQGFUFDD-VXLGQFJQSA-N
Molecular Weight 648.928 g/mol
SMILES c1(c(c(OC)cc(c1)C)CCCCCCCCCCCC)OC(\C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(cc1)OC)=O
SPLASH splash10-014i-0984001000-92b9bf0f966050ff198f
Source of Spectrum F-37-562-0
Wiley ID 1413056