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(1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-9-ETHOXYCARBONYL-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECANE

View entire compound with spectra: 1 NMR

(1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-9-ETHOXYCARBONYL-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECANE
SpectraBase Compound ID HQuQn7MIx87
InChI InChI=1S/2C16H18N2O7/c2*1-3-21-11(19)7(5-17)16-10-9(8-6-23-14(16)24-8)15(10,12(18)25-16)13(20)22-4-2/h2*7-10,14,18H,3-4,6H2,1-2H3/t7-,8+,9+,10-,14+,15-,16-;7-,8-,9-,10+,14-,15+,16+/m01/s1
InChIKey PRZHLUQFIBSUAC-GSLYXDAUSA-N
Mol Weight 700.65 g/mol
Molecular Formula C32H36N4O14
Exact Mass 700.222802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ifKSBpIQuQ
Name (1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-9-ETHOXYCARBONYL-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECANE
Compound Number IV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36N4O14
InChI InChI=1S/2C16H18N2O7/c2*1-3-21-11(19)7(5-17)16-10-9(8-6-23-14(16)24-8)15(10,12(18)25-16)13(20)22-4-2/h2*7-10,14,18H,3-4,6H2,1-2H3/t7-,8+,9+,10-,14+,15-,16-;7-,8-,9-,10+,14-,15+,16+/m01/s1
InChIKey PRZHLUQFIBSUAC-GSLYXDAUSA-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 700.656 g/mol
Solvent CDCl3
Source File Reference UWVN5589