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BENZYL-5-O-BUTANOYLQUINATE;BENZYL-5-BETA-(BUTANOYLOXY)-1-ALPHA,3-ALPHA,4-ALPHA-TRIHYDROXYCYCLOHEXANE-1-BETA-CARBOXYLATE
SpectraBase Compound ID DUD8MonGGe0
InChI InChI=1S/C18H24O7/c1-2-6-15(20)25-14-10-18(23,9-13(19)16(14)21)17(22)24-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16,19,21,23H,2,6,9-11H2,1H3/t13-,14-,16-,18+/m0/s1
InChIKey XRBPNTRVNDSBQB-ILXVDBEPSA-N
Mol Weight 352.38 g/mol
Molecular Formula C18H24O7
Exact Mass 352.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTqeKXVt6De
Name BENZYL-5-O-BUTANOYLQUINATE;BENZYL-5-BETA-(BUTANOYLOXY)-1-ALPHA,3-ALPHA,4-ALPHA-TRIHYDROXYCYCLOHEXANE-1-BETA-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O7
InChI InChI=1S/C18H24O7/c1-2-6-15(20)25-14-10-18(23,9-13(19)16(14)21)17(22)24-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,16,19,21,23H,2,6,9-11H2,1H3/t13-,14-,16-,18+/m0/s1
InChIKey XRBPNTRVNDSBQB-ILXVDBEPSA-N
Literature Reference Author B.DANIELI,P.DEBELLIS,L.BARZAGHI,G.CARREA,G.OTTOLINA,S.RIVA
Literature Reference Citation HELV.CHIM.ACTA,75,1297(1992)
Literature Reference DOI 10.1002/hlca.19920750431
Molecular Weight 352.384 g/mol
Solvent DMSO-D6
Source File Reference UWCS5296