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ETHYL-4,6-O-BENZYLIDENE-2,3-DIDEOXY-3-IODO-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID LCW1laRPT4L
InChI InChI=1S/C18H21Cl3INO5S/c1-2-29-16-13(23-17(24)26-9-18(19,20)21)12(22)14-11(27-16)8-25-15(28-14)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3,(H,23,24)/t11-,12-,13-,14-,15-,16+/m1/s1
InChIKey FXBRENQJXRVBDU-SJJUBHFPSA-N
Mol Weight 596.69 g/mol
Molecular Formula C18H21Cl3INO5S
Exact Mass 594.925072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID myw3vcs5nB
Name ETHYL-4,6-O-BENZYLIDENE-2,3-DIDEOXY-3-IODO-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21Cl3INO5S
InChI InChI=1S/C18H21Cl3INO5S/c1-2-29-16-13(23-17(24)26-9-18(19,20)21)12(22)14-11(27-16)8-25-15(28-14)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3,(H,23,24)/t11-,12-,13-,14-,15-,16+/m1/s1
InChIKey FXBRENQJXRVBDU-SJJUBHFPSA-N
Literature Reference Author D.Q.SUN,R.BUSSON,P.HERDEWIJN
Literature Reference Citation EUR.J.ORG.CHEM.,5158(2006)
Molecular Weight 596.692 g/mol
Sample ID 32965
Solvent CDCl3