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Pertrimethylsilylated flufenamic acid glucuronide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHIK4cDJiyQ
Name Pertrimethylsilylated flufenamic acid glucuronide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 745.256558195 u
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 C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(C=1C(NC2=CC(C(F)(F)F)=CC=C2)=CC=CC1)=O)O[Si](C)(C)C)O[Si](C)(C)C