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(2R,3R)-4-O-BENZOYL-1-O-(PARA-BrOMOBENZYL)-3-(2'-PROPENYL)-1,2,4-BUTANETRIOL
SpectraBase Compound ID 9llIncIP1nN
InChI InChI=1S/C21H23BrO4/c1-2-6-18(14-26-21(24)17-7-4-3-5-8-17)20(23)15-25-13-16-9-11-19(22)12-10-16/h2-5,7-12,18,20,23H,1,6,13-15H2/t18-,20+/m1/s1
InChIKey CWWAICVXERVJDM-QUCCMNQESA-N
Mol Weight 419.32 g/mol
Molecular Formula C21H23BrO4
Exact Mass 418.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hp7SqTlrhD4
Name (2R,3R)-4-O-BENZOYL-1-O-(PARA-BrOMOBENZYL)-3-(2'-PROPENYL)-1,2,4-BUTANETRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23BrO4
InChI InChI=1S/C21H23BrO4/c1-2-6-18(14-26-21(24)17-7-4-3-5-8-17)20(23)15-25-13-16-9-11-19(22)12-10-16/h2-5,7-12,18,20,23H,1,6,13-15H2/t18-,20+/m1/s1
InChIKey CWWAICVXERVJDM-QUCCMNQESA-N
Literature Reference Author J.BRANALT,I.KVARNSTROEM,G.NIKLASSON,S.C.T.SVENSSON,B.CLASSON ,B.SAMUELSSON
Literature Reference Citation J.ORG.CHEM.,59,1785(1994)
Molecular Weight 419.315 g/mol
Solvent CDCl3
Source File Reference UWCP5176