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1,2:5,6-di-o-Isopropylidene-3-o-(imidazol-1-ylthiocarbonyl).alpha.,D-glucofuranoside
SpectraBase Compound ID DItAnC3J9QC
InChI InChI=1S/C16H22N2O6S/c1-15(2)19-7-9(22-15)10-11(21-14(25)18-6-5-17-8-18)12-13(20-10)24-16(3,4)23-12/h5-6,8-13H,7H2,1-4H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey HXWHSVDIWHCYAP-UJPOAAIJSA-N
Mol Weight 370.42 g/mol
Molecular Formula C16H22N2O6S
Exact Mass 370.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTjy8HGN0tc
Name 1,2:5,6-di-o-Isopropylidene-3-o-(imidazol-1-ylthiocarbonyl).alpha.,D-glucofuranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.119857604 u
Formula C16H22N2O6S
InChI InChI=1S/C16H22N2O6S/c1-15(2)19-7-9(22-15)10-11(21-14(25)18-6-5-17-8-18)12-13(20-10)24-16(3,4)23-12/h5-6,8-13H,7H2,1-4H3/t9-,10-,11+,12-,13-/m1/s1
InChIKey HXWHSVDIWHCYAP-UJPOAAIJSA-N
Molecular Weight 370.420 g/mol
SMILES [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC(N1C=NC=C1)=S)[H])[H]