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Pertrimethylsilylated pirprofen glucuronide
SpectraBase Compound ID Cs82HPsISLE
InChI InChI=1S/C31H54ClNO8Si4/c1-21(22-16-17-24(23(32)20-22)33-18-14-15-19-33)29(34)37-31-28(40-44(8,9)10)26(39-43(5,6)7)25(38-42(2,3)4)27(36-31)30(35)41-45(11,12)13/h14-17,20-21,25-28,31H,18-19H2,1-13H3
InChIKey YMXPTCTXIBRMPD-UHFFFAOYSA-N
Mol Weight 716.6 g/mol
Molecular Formula C31H54ClNO8Si4
Exact Mass 715.261502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CEkJqwEDM7
Name Pertrimethylsilylated pirprofen glucuronide
Alternate Name(s) Trimethylsilyl 1-O-{2-[3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propanoyl}-2,3,4-tris-O-(trimethylsilyl)hexopyranuronate [2'',3'',4'',6''-tetrakis(trimethylsilyl)glucopyranos-1''-O-acyl]2-[4'-(2'',5''-dihydropyrrol-1''-yl)-3'-chlorophenyl]-2-methylpropanoate
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Formula C31H54ClNO8Si4
InChI InChI=1S/C31H54ClNO8Si4/c1-21(22-16-17-24(23(32)20-22)33-18-14-15-19-33)29(34)37-31-28(40-44(8,9)10)26(39-43(5,6)7)25(38-42(2,3)4)27(36-31)30(35)41-45(11,12)13/h14-17,20-21,25-28,31H,18-19H2,1-13H3
InChIKey YMXPTCTXIBRMPD-UHFFFAOYSA-N
Molecular Weight 716.565 g/mol
SMILES C1(C(C(O[Si](C)(C)C)C(OC1C(O[Si](C)(C)C)=O)OC(C(c1cc(Cl)c(cc1)N1CC=CC1)C)=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0a4i-0090000200-4ce9bb02e5a44d95ea37
Source of Spectrum KO-17-99-13
Wiley ID 1415492