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10-hydroxy-2,4,6,12-octadecatetraenoic acid PFB/TMS derivative
SpectraBase Compound ID FJJFt8v0fMa
InChI InChI=1S/C28H37F5O3Si/c1-5-6-7-8-11-14-17-21(36-37(2,3)4)18-15-12-9-10-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h9-14,16,19,21H,5-8,15,17-18,20H2,1-4H3/b12-9+,13-10+,14-11+,19-16+
InChIKey FVFSIGIKEIDXJE-MLFXIPPQSA-N
Mol Weight 544.7 g/mol
Molecular Formula C28H37F5O3Si
Exact Mass 544.243212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6U8d4ZDqm2a
Name 10-hydroxy-2,4,6,12-octadecatetraenoic acid PFB/TMS derivative
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Formula C28H37F5O3Si
InChI InChI=1S/C28H37F5O3Si/c1-5-6-7-8-11-14-17-21(36-37(2,3)4)18-15-12-9-10-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h9-14,16,19,21H,5-8,15,17-18,20H2,1-4H3/b12-9+,13-10+,14-11+,19-16+
InChIKey FVFSIGIKEIDXJE-MLFXIPPQSA-N
Molecular Weight 544.678 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(\C=C\C=C\C=C\CCC(O[Si](C)(C)C)C\C=C\CCCCC)=O
SPLASH splash10-001i-0901700000-76f0b633d9f218a98837
Source of Spectrum O-31-236-0
Synonyms 2,3,4,5,6-pentafluorobenzyl (2E,4E,6E,12E)-10-[(trimethylsilyl)oxy]-2,4,6,12-octadecatetraenoate
Wiley ID 1405042