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Methyl 2,3,4-Tri-O-acetyl-1-O-(2,6-dichlorophenyl)-.beta.-D-glucopyranuronate
SpectraBase Compound ID A77e2SR1TeZ
InChI InChI=1S/C19H20Cl2O10/c1-8(22)27-14-15(28-9(2)23)17(29-10(3)24)19(31-16(14)18(25)26-4)30-13-11(20)6-5-7-12(13)21/h5-7,14-17,19H,1-4H3/t14-,15-,16-,17+,19+/m0/s1
InChIKey TWONSLPWRJMBIN-YTGMWSOZSA-N
Mol Weight 479.27 g/mol
Molecular Formula C19H20Cl2O10
Exact Mass 478.043352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDiJj3rJBVI
Name Methyl 2,3,4-tris( O-acetyl)-1-[O-(2',6'-dichlorophenyl)]-.beta.-D-glucopyran-uronate
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Formula C19H20Cl2O10
InChI InChI=1S/C19H20Cl2O10/c1-8(22)27-14-15(28-9(2)23)17(29-10(3)24)19(31-16(14)18(25)26-4)30-13-11(20)6-5-7-12(13)21/h5-7,14-17,19H,1-4H3/t14-,15-,16-,17+,19+/m0/s1
InChIKey TWONSLPWRJMBIN-YTGMWSOZSA-N
Molecular Weight 479.265 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@]([C@@](O1)(Oc1c(Cl)cccc1Cl)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(C(=O)OC)[H]
SPLASH splash10-0a6u-4911000000-3be04fe957527b923cc4
Source of Spectrum D9-334-102-3
Wiley ID 1550768