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2-TRIFLUOROMETHYL-5-ACETAMIDOBENZYL-GLUCURONIDE

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2-TRIFLUOROMETHYL-5-ACETAMIDOBENZYL-GLUCURONIDE
SpectraBase Compound ID 5RfF8aTK1yR
InChI InChI=1S/C16H18F3NO8/c1-6(21)20-8-2-3-9(16(17,18)19)7(4-8)5-27-15-12(24)10(22)11(23)13(28-15)14(25)26/h2-4,10-13,15,22-24H,5H2,1H3,(H,20,21)(H,25,26)/t10-,11-,12+,13-,15+/m0/s1
InChIKey ZPSASCXFZPWMST-DKBOKBLXSA-N
Mol Weight 409.31 g/mol
Molecular Formula C16H18F3NO8
Exact Mass 409.098451 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDdVf56C7iq
Name 2-TRIFLUOROMETHYL-5-ACETAMIDOBENZYL-GLUCURONIDE
Compound Number III
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18F3NO8
InChI InChI=1S/C16H18F3NO8/c1-6(21)20-8-2-3-9(16(17,18)19)7(4-8)5-27-15-12(24)10(22)11(23)13(28-15)14(25)26/h2-4,10-13,15,22-24H,5H2,1H3,(H,20,21)(H,25,26)/t10-,11-,12+,13-,15+/m0/s1
InChIKey ZPSASCXFZPWMST-DKBOKBLXSA-N
Literature Reference Author G.B.SCARFE,J.C.LINDON,J.K.NICHOLSON,B.WRIGHT,E.CLAYTON,I.D.W ILSON
Literature Reference Citation DRUG.MET.DISP.,27,1171(1999)
Solvent Unknown
Source File Reference UWLU74454