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PHENYL-4,6-O-BENZILIDENE-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID FcRPJSNEYpq
InChI InChI=1S/C22H22Cl3NO6S/c23-22(24,25)12-30-21(28)26-16-17(27)18-15(31-20(16)33-14-9-5-2-6-10-14)11-29-19(32-18)13-7-3-1-4-8-13/h1-10,15-20,27H,11-12H2,(H,26,28)/t15-,16-,17-,18-,19-,20+/m1/s1
InChIKey PRWOAOSQWVRAIF-PJBUMPDVSA-N
Mol Weight 534.84 g/mol
Molecular Formula C22H22Cl3NO6S
Exact Mass 533.023342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3TaSPQYnsxQ
Name PHENYL-4,6-O-BENZILIDENE-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-BETA-D-GLUCOPYRANOSIDE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22Cl3NO6S
InChI InChI=1S/C22H22Cl3NO6S/c23-22(24,25)12-30-21(28)26-16-17(27)18-15(31-20(16)33-14-9-5-2-6-10-14)11-29-19(32-18)13-7-3-1-4-8-13/h1-10,15-20,27H,11-12H2,(H,26,28)/t15-,16-,17-,18-,19-,20+/m1/s1
InChIKey PRWOAOSQWVRAIF-PJBUMPDVSA-N
Literature Reference Author D.BENITO-ALIFONSO,R.A.JONES,A.T.TRAN,H.WOODWARD,N.SMITH,M.V. GALAN
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1867(2013)
Literature Reference DOI 10.3762/bjoc.9.218
Molecular Weight 534.839 g/mol
Solvent CDCl3
Source File Reference UWLU77518