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N,N''-(1R,2R)-1,2-CYCLOHEXANEDIYL-BIS-[N''-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-1-YLUREA]
SpectraBase Compound ID Fr6yf2StJGK
InChI InChI=1S/C28H44N4O2/c33-25(31-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(34)32-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H2,29,31,33)(H2,30,32,34)/t17-,18+,19-,20-,21?,22?,23-,24-,27-,28?/m1/s1
InChIKey GLPLHBFSXNRIBO-JBACIHRNSA-N
Mol Weight 468.7 g/mol
Molecular Formula C28H44N4O2
Exact Mass 468.346427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uWyRtA1WGs
Name N,N''-(1R,2R)-1,2-CYCLOHEXANEDIYL-BIS-[N''-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-1-YLUREA]
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44N4O2
InChI InChI=1S/C28H44N4O2/c33-25(31-27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-3-1-2-4-24(23)30-26(34)32-28-14-20-8-21(15-28)10-22(9-20)16-28/h17-24H,1-16H2,(H2,29,31,33)(H2,30,32,34)/t17-,18+,19-,20-,21?,22?,23-,24-,27-,28?/m1/s1
InChIKey GLPLHBFSXNRIBO-JBACIHRNSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,T.MIYATA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,55,1406(2007)
Literature Reference DOI 10.1248/cpb.55.1406
Molecular Weight 468.683 g/mol
Sample ID 56209
Solvent CDCl3