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12-oxo-10,11-dihydro-LTB4 PFB/TMS derivative
SpectraBase Compound ID FyCMQamrw7S
InChI InChI=1S/C30H41F5O4Si/c1-5-6-7-8-9-12-16-22(36)17-13-10-11-14-18-23(39-40(2,3)4)19-15-20-25(37)38-21-24-26(31)28(33)30(35)29(34)27(24)32/h9-12,14,18,23H,5-8,13,15-17,19-21H2,1-4H3/b11-10+,12-9-,18-14-
InChIKey NRRNWZQJVQWDNA-STLUWWDFSA-N
Mol Weight 588.7 g/mol
Molecular Formula C30H41F5O4Si
Exact Mass 588.269427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jSfSNhPYWm
Name 12-oxo-10,11-dihydro-LTB4 PFB/TMS derivative
Alternate Name(s) 2,3,4,5,6-pentafluorobenzyl (6Z,8E,14Z)-12-oxo-5-[(trimethylsilyl)oxy]-6,8,14-icosatrienoate
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Formula C30H41F5O4Si
InChI InChI=1S/C30H41F5O4Si/c1-5-6-7-8-9-12-16-22(36)17-13-10-11-14-18-23(39-40(2,3)4)19-15-20-25(37)38-21-24-26(31)28(33)30(35)29(34)27(24)32/h9-12,14,18,23H,5-8,13,15-17,19-21H2,1-4H3/b11-10+,12-9-,18-14-
InChIKey NRRNWZQJVQWDNA-STLUWWDFSA-N
Molecular Weight 588.731 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)C\C=C/CCCCC
SPLASH splash10-01cr-3900200000-f613a0dd4fb75343a83e
Source of Spectrum O-31-236-0
Wiley ID 1409168