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ETHYL-3-O-ACETYL-6-O-BENZYL-2,4-DIDEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-THIO-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID 84elflzPsAN
InChI InChI=1S/C20H26Cl3NO6S/c1-3-31-18-17(24-19(26)28-12-20(21,22)23)16(29-13(2)25)9-15(30-18)11-27-10-14-7-5-4-6-8-14/h4-8,15-18H,3,9-12H2,1-2H3,(H,24,26)/t15-,16-,17+,18-/m1/s1
InChIKey PVIWJBFSPPQOKV-ZJPYXAASSA-N
Mol Weight 514.85 g/mol
Molecular Formula C20H26Cl3NO6S
Exact Mass 513.054642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xkQ9mSXjSA
Name ETHYL-3-O-ACETYL-6-O-BENZYL-2,4-DIDEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-THIO-BETA-D-XYLOPYRANOSIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26Cl3NO6S
InChI InChI=1S/C20H26Cl3NO6S/c1-3-31-18-17(24-19(26)28-12-20(21,22)23)16(29-13(2)25)9-15(30-18)11-27-10-14-7-5-4-6-8-14/h4-8,15-18H,3,9-12H2,1-2H3,(H,24,26)/t15-,16-,17+,18-/m1/s1
InChIKey PVIWJBFSPPQOKV-ZJPYXAASSA-N
Literature Reference Author D.Q.SUN,R.BUSSON,P.HERDEWIJN
Literature Reference Citation EUR.J.ORG.CHEM.,5158(2006)
Molecular Weight 514.849 g/mol
Sample ID 32964
Solvent CDCl3