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pertrimethylsilylated flufenamic acid glucuronide
SpectraBase Compound ID 8tkePwMSiP3
InChI InChI=1S/C32H50F3NO8Si4/c1-45(2,3)41-25-26(42-46(4,5)6)28(43-47(7,8)9)31(39-27(25)30(38)44-48(10,11)12)40-29(37)23-18-13-14-19-24(23)36-22-17-15-16-21(20-22)32(33,34)35/h13-20,25-28,31,36H,1-12H3
InChIKey XBKOOKKPXPWBCO-UHFFFAOYSA-N
Mol Weight 746.1 g/mol
Molecular Formula C32H50F3NO8Si4
Exact Mass 745.256558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kxFAw6Rjpv
Name pertrimethylsilylated flufenamic acid glucuronide
Alternate Name(s) Trimethylsilyl 1-O-{2-[3-(trifluoromethyl)anilino]benzoyl}-2,3,4-tris-O-(trimethylsilyl)hexopyranuronate [2'',3'',4'',6''-tetrakis(trimethylsilyl)glucopyranos-1''-O-acyl]2-{[(3'-trifluoromethyl}phenyl]amino}benzoate
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Formula C32H50F3NO8Si4
InChI InChI=1S/C32H50F3NO8Si4/c1-45(2,3)41-25-26(42-46(4,5)6)28(43-47(7,8)9)31(39-27(25)30(38)44-48(10,11)12)40-29(37)23-18-13-14-19-24(23)36-22-17-15-16-21(20-22)32(33,34)35/h13-20,25-28,31,36H,1-12H3
InChIKey XBKOOKKPXPWBCO-UHFFFAOYSA-N
Molecular Weight 746.086 g/mol
SMILES N(c1c(C(OC2OC(C(C(C2O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=O)=O)cccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0w29-0069000000-5e11c4ed1754c7947afb
Source of Spectrum KO-17-99-6
Wiley ID 1416221