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Methyl ester of 2,6-dimethyl-3-acetoxydoeicosenoic acid (mixture ofisomers)
SpectraBase Compound ID 35itzbITtNF
InChI InChI=1S/C27H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)21-22-26(31-25(4)28)24(3)27(29)30-5/h23H,6-22H2,1-5H3/b26-24-
InChIKey WLAPZYVOERUGMM-LCUIJRPUSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGlV9CEX6EW
Name Methyl ester of 2,6-dimethyl-3-acetoxydoeicosenoic acid (mixture ofisomers)
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Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)21-22-26(31-25(4)28)24(3)27(29)30-5/h23H,6-22H2,1-5H3/b26-24-
InChIKey WLAPZYVOERUGMM-LCUIJRPUSA-N
Molecular Weight 438.693 g/mol
SMILES C(O\C(=C/(C(=O)OC)C)CCC(CCCCCCCCCCCCCCCC)C)(=O)C
SPLASH splash10-00fr-0914000000-476563af12d83e86a861
Source of Spectrum F-41-3402-0
Synonyms Methyl (2Z)-3-(acetyloxy)-2,6-dimethyl-2-docosenoate
Wiley ID 1384267