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12-hydroxy-(5Z,8E,10E)-heptadecatrienoic acid, PFB,TMS derivative
SpectraBase Compound ID J4nxMHjbTyv
InChI InChI=1S/C27H37F5O3Si/c1-5-6-13-16-20(35-36(2,3)4)17-14-11-9-7-8-10-12-15-18-22(33)34-19-21-23(28)25(30)27(32)26(31)24(21)29/h8-11,14,17,20H,5-7,12-13,15-16,18-19H2,1-4H3/b10-8-,11-9+,17-14+
InChIKey DCIYDWDDLUAKEW-GFFMWERTSA-N
Mol Weight 532.7 g/mol
Molecular Formula C27H37F5O3Si
Exact Mass 532.243212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgNkaarpHjP
Name 12-hydroxy-(5Z,8E,10E)-heptadecatrienoic acid, PFB,TMS derivative
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Formula C27H37F5O3Si
InChI InChI=1S/C27H37F5O3Si/c1-5-6-13-16-20(35-36(2,3)4)17-14-11-9-7-8-10-12-15-18-22(33)34-19-21-23(28)25(30)27(32)26(31)24(21)29/h8-11,14,17,20H,5-7,12-13,15-16,18-19H2,1-4H3/b10-8-,11-9+,17-14+
InChIKey DCIYDWDDLUAKEW-GFFMWERTSA-N
Molecular Weight 532.667 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCC\C=C/C\C=C\C=C\C(O[Si](C)(C)C)CCCCC
SPLASH splash10-0089-6930000000-6089e09dabdd96f5cc18
Source of Spectrum JA-6-40-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (5Z,8E,10E)-12-[(trimethylsilyl)oxy]-5,8,10-heptadecatrienoate
Wiley ID 1403578