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(1R,4R,5R)-4-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-7,8-DIOXA-BICYCLO-[3.2.1]-OCTAN-2-ONE
SpectraBase Compound ID sIK69RTkIu
InChI InChI=1S/2C11H11NO5/c2*1-2-15-10(14)11(4-12)6-5-3-16-9(17-5)8(13)7(6)11/h2*5-7,9H,2-3H2,1H3/t5-,6-,7-,9-,11+;5-,6-,7-,9-,11-/m11/s1
InChIKey DPIKXKCVSKGALI-KLEFRCAXSA-N
Mol Weight 474.42 g/mol
Molecular Formula C22H22N2O10
Exact Mass 474.127445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y4UECUPFJL
Name (1R,4R,5R)-4-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-7,8-DIOXA-BICYCLO-[3.2.1]-OCTAN-2-ONE
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O10
InChI InChI=1S/2C11H11NO5/c2*1-2-15-10(14)11(4-12)6-5-3-16-9(17-5)8(13)7(6)11/h2*5-7,9H,2-3H2,1H3/t5-,6-,7-,9-,11+;5-,6-,7-,9-,11-/m11/s1
InChIKey DPIKXKCVSKGALI-KLEFRCAXSA-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 474.424 g/mol
Solvent CDCl3
Source File Reference UWVN5591