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D-Glucitol, 1,5-anhydro-1-C-(2,3,4-trihydroxyphenyl)-, (S)-
SpectraBase Compound ID AyGdELwLsDO
InChI InChI=1S/C12H16O8/c13-3-7-9(17)10(18)11(19)12(20-7)4-1-5(14)8(16)6(15)2-4/h1-2,7,9-19H,3H2/t7-,9-,10-,11-,12?/m1/s1
InChIKey WWHFLAFCTONTMD-IZDZDGOPSA-N
Mol Weight 288.25 g/mol
Molecular Formula C12H16O8
Exact Mass 288.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSIUAQBqUJR
Name D-Glucitol, 1,5-anhydro-1-C-(2,3,4-trihydroxyphenyl)-, (S)-
Alternate Name(s) 1,5-anhydro-1-(3,4,5-trihydroxyphenyl)-D-allitol 1,5-Anhydro-1-c-(2,3,4-trihydroxyphenyl)-(S)-D-glucitol
CAS Registry Number 66065-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O8
InChI InChI=1S/C12H16O8/c13-3-7-9(17)10(18)11(19)12(20-7)4-1-5(14)8(16)6(15)2-4/h1-2,7,9-19H,3H2/t7-,9-,10-,11-,12?/m1/s1
InChIKey WWHFLAFCTONTMD-IZDZDGOPSA-N
Molecular Weight 288.252 g/mol
SMILES O[C@@]1([C@@]([C@@]([C@](OC1c1cc(c(c(c1)O)O)O)(CO)[H])(O)[H])(O)[H])[H]
SPLASH splash10-000i-1900000000-5486209f61698aff6c65
Source of Spectrum SB-32-74-0
Wiley ID 1291311