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Pertrimethylsilylated diflunisal glucuronide
SpectraBase Compound ID 2WYLrb6igI6
InChI InChI=1S/C34H56F2O9Si5/c1-46(2,3)41-27-19-16-22(24-18-17-23(35)21-26(24)36)20-25(27)32(37)40-34-31(44-49(10,11)12)29(43-48(7,8)9)28(42-47(4,5)6)30(39-34)33(38)45-50(13,14)15/h16-21,28-31,34H,1-15H3
InChIKey WDNYJOJZMMQSGX-UHFFFAOYSA-N
Mol Weight 787.2 g/mol
Molecular Formula C34H56F2O9Si5
Exact Mass 786.273872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOZTCkVlsuF
Name Pertrimethylsilylated diflunisal glucuronide
Alternate Name(s) Trimethylsilyl 1-O-({2',4'-difluoro-4-[(trimethylsilyl)oxy][1,1'-biphenyl]-3-yl}carbonyl)-2,3,4-tris-O-(trimethylsilyl)hexopyranuronate [2'',3'',4'',6''-tetrakis(trimethylsilyl)glucopyranos-1''-O-acyl]2-trimethylsilyloxy-5-(2',4'-difluorophenyl)benzoate
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Formula C34H56F2O9Si5
InChI InChI=1S/C34H56F2O9Si5/c1-46(2,3)41-27-19-16-22(24-18-17-23(35)21-26(24)36)20-25(27)32(37)40-34-31(44-49(10,11)12)29(43-48(7,8)9)28(42-47(4,5)6)30(39-34)33(38)45-50(13,14)15/h16-21,28-31,34H,1-15H3
InChIKey WDNYJOJZMMQSGX-UHFFFAOYSA-N
Molecular Weight 787.235 g/mol
SMILES C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(c1cc(-c2c(cc(cc2)F)F)ccc1O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0udi-0009000000-59ce7d63c60101b43043
Source of Spectrum KO-17-99-5
Wiley ID 1416959