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Methyl 3,6-bis(O-[4-bromo-benzoyl]).alpha.-D-mannopyranoside

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Methyl 3,6-bis(O-[4-bromo-benzoyl]).alpha.-D-mannopyranoside
SpectraBase Compound ID 5VXIfpnQaNs
InChI InChI=1S/C21H20Br2O8/c1-28-21-17(25)18(31-20(27)12-4-8-14(23)9-5-12)16(24)15(30-21)10-29-19(26)11-2-6-13(22)7-3-11/h2-9,15-18,21,24-25H,10H2,1H3/t15-,16-,17-,18+,21+/m1/s1
InChIKey NAHJRHRDQBYEDE-NLJKLAEJSA-N
Mol Weight 560.19 g/mol
Molecular Formula C21H20Br2O8
Exact Mass 557.952494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FT4zNupZTiW
Name Methyl 3,6-bis(O-[4-bromo-benzoyl]).alpha.-D-mannopyranoside
CAS Registry Number 80326-25-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20Br2O8
InChI InChI=1S/C21H20Br2O8/c1-28-21-17(25)18(31-20(27)12-4-8-14(23)9-5-12)16(24)15(30-21)10-29-19(26)11-2-6-13(22)7-3-11/h2-9,15-18,21,24-25H,10H2,1H3/t15-,16-,17-,18+,21+/m1/s1
InChIKey NAHJRHRDQBYEDE-NLJKLAEJSA-N
Instrument Name Bruker WM-250
Literature Reference H.W. Liu, K. Nakanishi, J. Am. Chem. Soc. 104, 1178 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3