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1,2:5,6-Di-O-isopropylidene-3-O-[(pentafluorophenoxy)thiocarbonyl]-.alpha.-D-glucofuranose
SpectraBase Compound ID 2xnb3YtFxrG
InChI InChI=1S/C19H19F5O7S/c1-18(2)25-5-6(29-18)12-14(15-16(26-12)31-19(3,4)30-15)28-17(32)27-13-10(23)8(21)7(20)9(22)11(13)24/h6,12,14-16H,5H2,1-4H3/t6-,12-,14+,15-,16-/m1/s1
InChIKey LHDQEHREFQSCHI-LMRUQFDMSA-N
Mol Weight 486.41 g/mol
Molecular Formula C19H19F5O7S
Exact Mass 486.077165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5gD12eTEQc
Name 1,2:5,6-Di-O-isopropylidene-3-O-[(pentafluorophenoxy)thiocarbonyl]-.alpha.-D-glucofuranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F5O7S
InChI InChI=1S/C19H19F5O7S/c1-18(2)25-5-6(29-18)12-14(15-16(26-12)31-19(3,4)30-15)28-17(32)27-13-10(23)8(21)7(20)9(22)11(13)24/h6,12,14-16H,5H2,1-4H3/t6-,12-,14+,15-,16-/m1/s1
InChIKey LHDQEHREFQSCHI-LMRUQFDMSA-N
Molecular Weight 486.406 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OC(Oc2c(c(F)c(c(c2F)F)F)F)=S)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0udl-5900200000-5d533fec47b1e22cd529
Source of Spectrum J-58-6842-3
Synonyms (4R)-4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[(2,3,4,5,6-pentafluorophenoxymethanethioyl)oxy]-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
Wiley ID 1396368