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10,11,14,15-Tetrahydro-LTB4 pfb/tms derivative
SpectraBase Compound ID 6L5l9aMrk8b
InChI InChI=1S/C33H53F5O4Si2/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/h13-14,17,21,25-26H,8-12,15-16,18-20,22-24H2,1-7H3/b14-13+,21-17-
InChIKey MWYAQGUUWWNQDY-DYBSFHBDSA-N
Mol Weight 664.9 g/mol
Molecular Formula C33H53F5O4Si2
Exact Mass 664.340254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbTnK2vwf7z
Name 10,11,14,15-Tetrahydro-LTB4 pfb/tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 664.340254068 u
Formula C33H53F5O4Si2
InChI InChI=1S/C33H53F5O4Si2/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/h13-14,17,21,25-26H,8-12,15-16,18-20,22-24H2,1-7H3/b14-13+,21-17-
InChIKey MWYAQGUUWWNQDY-DYBSFHBDSA-N
Molecular Weight 664.945 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)CCCCCCCC