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METHYL-(2-BROMOETHYL-2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE
SpectraBase Compound ID 86agcsKN0Fb
InChI InChI=1S/C15H21BrO9S/c1-7(17)22-10-11(23-8(2)18)13(24-9(3)19)15(26-6-5-16)25-12(10)14(20)21-4/h10-13,15H,5-6H2,1-4H3/t10-,11-,12-,13+,15-/m0/s1
InChIKey PLRFVMQLXMRBDI-BAYHKCFCSA-N
Mol Weight 457.29 g/mol
Molecular Formula C15H21BrO9S
Exact Mass 456.008966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFr8PeshnCQ
Name METHYL-(2-BROMOETHYL-2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21BrO9S
InChI InChI=1S/C15H21BrO9S/c1-7(17)22-10-11(23-8(2)18)13(24-9(3)19)15(26-6-5-16)25-12(10)14(20)21-4/h10-13,15H,5-6H2,1-4H3/t10-,11-,12-,13+,15-/m0/s1
InChIKey PLRFVMQLXMRBDI-BAYHKCFCSA-N
Literature Reference Author C.STANETTY,A.WOLKERSTORFER,H.AMER,A.HOFINGER,U.JORDIS,D.CLAB EN-HOUBEN,P.KOSMA
Literature Reference Citation BEIL.J.ORG.CHEM.,8,705(2012)
Literature Reference DOI 10.3762/bjoc.8.79
Molecular Weight 457.290 g/mol
Solvent CDCl3
Source File Reference UWIR10528