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Pertrimethylsilylated flurbiprofen glucuronide
SpectraBase Compound ID GXC98HY8bQu
InChI InChI=1S/C33H53FO8Si4/c1-22(24-19-20-25(26(34)21-24)23-17-15-14-16-18-23)31(35)38-33-30(41-45(8,9)10)28(40-44(5,6)7)27(39-43(2,3)4)29(37-33)32(36)42-46(11,12)13/h14-22,27-30,33H,1-13H3
InChIKey OMNXKFHJFCUFKI-UHFFFAOYSA-N
Mol Weight 709.1 g/mol
Molecular Formula C33H53FO8Si4
Exact Mass 708.280153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoKH9BPp4xj
Name Pertrimethylsilylated flurbiprofen glucuronide
Alternate Name(s) (2'',3'',4'',6''-tetrakis(trimethylsilyl)glucopyranos-1''-O-acyl]2-methyl-2-(3'-fluoro-4'-phenyl)phenyacetate Trimethylsilyl 1-O-[2-(2-fluoro[1,1'-biphenyl]-4-yl)propanoyl]-2,3,4-tris-O-(trimethylsilyl)hexopyranuronate
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Formula C33H53FO8Si4
InChI InChI=1S/C33H53FO8Si4/c1-22(24-19-20-25(26(34)21-24)23-17-15-14-16-18-23)31(35)38-33-30(41-45(8,9)10)28(40-44(5,6)7)27(39-43(2,3)4)29(37-33)32(36)42-46(11,12)13/h14-22,27-30,33H,1-13H3
InChIKey OMNXKFHJFCUFKI-UHFFFAOYSA-N
Molecular Weight 709.117 g/mol
SMILES C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(C(c1cc(F)c(cc1)-c1ccccc1)C)=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-004i-0392001000-c4023c2d8fe0b27cd37e
Source of Spectrum KO-17-99-7
Wiley ID 1415266