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(1R,4R,5R)-4-[BIS-(ETHOXYCARBONYL)-METHYL]-7,8-DIOXA-BICYCLO-[3.2.1]-OCTAN-2-OL
SpectraBase Compound ID 4RPJ5c5qB7p
InChI InChI=1S/2C13H20O7/c2*1-3-17-11(15)10(12(16)18-4-2)7-5-8(14)13-19-6-9(7)20-13/h2*7-10,13-14H,3-6H2,1-2H3/t7-,8+,9+,13+;7-,8-,9+,13+/m00/s1
InChIKey YIABRIQFTMUKRR-SYKDCXJFSA-N
Mol Weight 576.59 g/mol
Molecular Formula C26H40O14
Exact Mass 576.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ai0wixR3RQz
Name (1R,4R,5R)-4-[BIS-(ETHOXYCARBONYL)-METHYL]-7,8-DIOXA-BICYCLO-[3.2.1]-OCTAN-2-OL
Compound Number IX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O14
InChI InChI=1S/2C13H20O7/c2*1-3-17-11(15)10(12(16)18-4-2)7-5-8(14)13-19-6-9(7)20-13/h2*7-10,13-14H,3-6H2,1-2H3/t7-,8+,9+,13+;7-,8-,9+,13+/m00/s1
InChIKey YIABRIQFTMUKRR-SYKDCXJFSA-N
Literature Reference Author E.V.GOROBETS,L.V.SPIRIKHIN,I.P.TZYPYSHEVA,M.S.MIFTAKHOV,F.A. VALEEV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1088(2001)
Literature Reference DOI 10.1023/A:1013123927066
Molecular Weight 576.595 g/mol
Solvent CDCl3
Source File Reference UWVN5592