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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 JXQnrExgtQ3
Name Methyl 2,3,4-Tri-O-acetyl-1-O-(2,6-dichlorophenyl)-.beta.-D-glucopyranuronate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002_1521-4184(200103)334_3_101
Molecular Weight 479.265 g/mol
SMILES c1(c(cccc1Cl)Cl)O[C@@]1(O[C@@]([C@@](OC(C)=O)([C@](OC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-0a6u-4911000000-3be04fe957527b923cc4
Source of Spectrum APP-334-103-3b
Synonyms (2S,3R,4S,5S,6S)-2-(2,6-dichlorophenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Wiley ID 1770550