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13-hydroxy-(9Z,11Z,15E)-octadecatrienoic acid, PFB,TMS derivative
SpectraBase Compound ID GoUmbj9VyGR
InChI InChI=1S/C28H39F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h6,10,12,14-15,18,21H,5,7-9,11,13,16-17,19-20H2,1-4H3/b12-10-,14-6+,18-15-
InChIKey ZDNLCRACFRPETE-NGRVOWHTSA-N
Mol Weight 546.7 g/mol
Molecular Formula C28H39F5O3Si
Exact Mass 546.258862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EJGo7VmRqr
Name 13-hydroxy-(9Z,11Z,15E)-octadecatrienoic acid, PFB,TMS derivative
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (9Z,11Z,15E)-13-[(trimethylsilyl)oxy]-9,11,15-octadecatrienoate
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Formula C28H39F5O3Si
InChI InChI=1S/C28H39F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h6,10,12,14-15,18,21H,5,7-9,11,13,16-17,19-20H2,1-4H3/b12-10-,14-6+,18-15-
InChIKey ZDNLCRACFRPETE-NGRVOWHTSA-N
Molecular Weight 546.694 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCCCCCC\C=C/C=C\C(O[Si](C)(C)C)C\C=C\CC
SPLASH splash10-00c0-6600900000-260acba66d87f8ada3be
Source of Spectrum JA-6-40-0
Wiley ID 1405240