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Acetaminophen glucuronide methyl ester TMS ether
SpectraBase Compound ID F9dODkoVwln
InChI InChI=1S/C24H43NO8Si3/c1-16(26)25-17-13-12-14-18(15-17)29-24-22(33-36(9,10)11)20(32-35(6,7)8)19(31-34(3,4)5)21(30-24)23(27)28-2/h12-15,19-22,24H,1-11H3,(H,25,26)
InChIKey WNVHBBHPSUGOGH-UHFFFAOYSA-N
Mol Weight 557.9 g/mol
Molecular Formula C24H43NO8Si3
Exact Mass 557.229647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qwl7bfxpel
Name Acetaminophen glucuronide methyl ester TMS ether
Alternate Name(s) 3-(Acetylamino)phenyl methyl 2,3,4-tris-O-(trimethylsilyl)hexopyranosiduronate 6-(3-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)-2-oxanecarboxylic acid methyl ester Methyl 6-(3-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)tetrahydropyran-2-carboxylate Methyl 6-(3-acetamidophenoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
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Formula C24H43NO8Si3
InChI InChI=1S/C24H43NO8Si3/c1-16(26)25-17-13-12-14-18(15-17)29-24-22(33-36(9,10)11)20(32-35(6,7)8)19(31-34(3,4)5)21(30-24)23(27)28-2/h12-15,19-22,24H,1-11H3,(H,25,26)
InChIKey WNVHBBHPSUGOGH-UHFFFAOYSA-N
Molecular Weight 557.862 g/mol
SMILES N(c1cc(OC2OC(C(C(C2O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(OC)=O)ccc1)C(C)=O
SPLASH splash10-01b9-7964000000-b4b9e6b04847c000b77e
Source of Spectrum BL-0-12-0
Wiley ID 64555