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12-oxo-10,11,14,15-Tetrahydro-LTB4 pfb/tms derivative
SpectraBase Compound ID 8P6e5MZvIXB
InChI InChI=1S/C30H43F5O4Si/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/h10-11,14,18,23H,5-9,12-13,15-17,19-21H2,1-4H3/b11-10+,18-14-
InChIKey AOLZVYQGPOCNFV-MUUZYNTISA-N
Mol Weight 590.7 g/mol
Molecular Formula C30H43F5O4Si
Exact Mass 590.285077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItK72B0JJO4
Name 12-oxo-10,11,14,15-Tetrahydro-LTB4 pfb/tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 590.285077211 u
Formula C30H43F5O4Si
InChI InChI=1S/C30H43F5O4Si/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/h10-11,14,18,23H,5-9,12-13,15-17,19-21H2,1-4H3/b11-10+,18-14-
InChIKey AOLZVYQGPOCNFV-MUUZYNTISA-N
Molecular Weight 590.747 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)CCCCCCCC