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5,12-dihydroxy-(6Z,8E,14Z)-eicosatrienoic acid, PFB,TMS derivative
SpectraBase Compound ID 6K57c8BXLRL
InChI InChI=1S/C33H51F5O4Si2/c1-8-9-10-11-12-15-19-25(41-43(2,3)4)20-16-13-14-17-21-26(42-44(5,6)7)22-18-23-28(39)40-24-27-29(34)31(36)33(38)32(37)30(27)35/h12-15,17,21,25-26H,8-11,16,18-20,22-24H2,1-7H3/b14-13+,15-12-,21-17-
InChIKey LDTBSRQCEUKGIM-OJOINPIXSA-N
Mol Weight 662.9 g/mol
Molecular Formula C33H51F5O4Si2
Exact Mass 662.324604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pG4mzEonm2
Name 5,12-dihydroxy-(6Z,8E,14Z)-eicosatrienoic acid, PFB,TMS derivative
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (6Z,8E,14Z)-5,12-bis[(trimethylsilyl)oxy]-6,8,14-icosatrienoate
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Formula C33H51F5O4Si2
InChI InChI=1S/C33H51F5O4Si2/c1-8-9-10-11-12-15-19-25(41-43(2,3)4)20-16-13-14-17-21-26(42-44(5,6)7)22-18-23-28(39)40-24-27-29(34)31(36)33(38)32(37)30(27)35/h12-15,17,21,25-26H,8-11,16,18-20,22-24H2,1-7H3/b14-13+,15-12-,21-17-
InChIKey LDTBSRQCEUKGIM-OJOINPIXSA-N
Molecular Weight 662.929 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)CCCC(O[Si](C)(C)C)\C=C/C=C/CCC(O[Si](C)(C)C)C\C=C/CCCCC
SPLASH splash10-00e9-8914100000-c14a6980b7eb75d109c2
Source of Spectrum JA-6-40-0
Wiley ID 1413636