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CIS,CIS-1,3,5-TRIS-(BENZYLAMINO)-2,4,6-TRIMETHYLCYCLOHEXANE
SpectraBase Compound ID 85T5cEz2FWO
InChI InChI=1S/C30H39N3/c1-22-28(31-19-25-13-7-4-8-14-25)23(2)30(33-21-27-17-11-6-12-18-27)24(3)29(22)32-20-26-15-9-5-10-16-26/h4-18,22-24,28-33H,19-21H2,1-3H3/t22-,23+,24-,28+,29-,30+
InChIKey XWQFOVCZNRULSN-CFOOAAGRSA-N
Mol Weight 441.7 g/mol
Molecular Formula C30H39N3
Exact Mass 441.314398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdvDdDHaizk
Name CIS,CIS-1,3,5-TRIS-(BENZYLAMINO)-2,4,6-TRIMETHYLCYCLOHEXANE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39N3
InChI InChI=1S/C30H39N3/c1-22-28(31-19-25-13-7-4-8-14-25)23(2)30(33-21-27-17-11-6-12-18-27)24(3)29(22)32-20-26-15-9-5-10-16-26/h4-18,22-24,28-33H,19-21H2,1-3H3/t22-,23+,24-,28+,29-,30+
InChIKey XWQFOVCZNRULSN-CFOOAAGRSA-N
Literature Reference Author D.PARKER,K.SENANAYAKE,J.VEPSAILAINEN,S.WILLIAMS,A.S.BATSANOV ,J.A.K.HOWARD
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1445(1997)
Literature Reference DOI 10.1039/a701364g
Molecular Weight 441.660 g/mol
Solvent CDCl3
Source File Reference UWRU6232