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1,2:5,6-Di-O-isopropylidene-3-O-(imidazol-1-ylthiocarbonyl).alpha.,D-glucofuranoside

View entire compound with spectra: 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEbKGdjInxo
Name 1,2:5,6-Di-O-isopropylidene-3-O-(imidazol-1-ylthiocarbonyl).alpha.,D-glucofuranoside
Alternate Name(s) 1-imidazolecarbothioic acid O-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester O-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] imidazole-1-carbothioate
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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([n]1cncc1)=S)[H])[H]
SPLASH splash10-0ktf-9301000000-63713a6b53e6a813d3d9
Source of Spectrum F-53-2418-3
Wiley ID 800531