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6-Deoxy-6-iodo-2,3:4,5-bis-o-(1-methylethylidene)-D-glucose-diethyldithioacetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

6-Deoxy-6-iodo-2,3:4,5-bis-o-(1-methylethylidene)-D-glucose-diethyldithioacetal
SpectraBase Compound ID 3fTZGVGbtXc
InChI InChI=1S/C16H29IO4S2/c1-7-22-14(23-8-2)13-12(20-16(5,6)21-13)11-10(9-17)18-15(3,4)19-11/h10-14H,7-9H2,1-6H3/t10-,11-,12+,13-/m1/s1
InChIKey HBWAPMVEULZIQA-FVCCEPFGSA-N
Mol Weight 476.43 g/mol
Molecular Formula C16H29IO4S2
Exact Mass 476.055197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZDDLdf2KsH
Name 6-Deoxy-6-iodo-2,3:4,5-bis-o-(1-methylethylidene)-D-glucose-diethyldithioacetal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.055196758 u
Formula C16H29IO4S2
InChI InChI=1S/C16H29IO4S2/c1-7-22-14(23-8-2)13-12(20-16(5,6)21-13)11-10(9-17)18-15(3,4)19-11/h10-14H,7-9H2,1-6H3/t10-,11-,12+,13-/m1/s1
InChIKey HBWAPMVEULZIQA-FVCCEPFGSA-N
Molecular Weight 476.428 g/mol
SMILES [C@]1([C@@](OC(O1)(C)C)(C(SCC)SCC)[H])([C@@]1(OC(C)(C)O[C@@]1(CI)[H])[H])[H]