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(1R,2R)-1,2-BIS-[(R)-4,5-DIHYDRO-3H-DINAPHTHO-[1,2-C:2',1'-E]-AZEPINO]-CYCLOHEXANE
SpectraBase Compound ID 6Mpw7ChlR3O
InChI InChI=1S/C50H42N2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-8,11-18,21-28,45-46H,9-10,19-20,29-32H2/t45-,46-/m1/s1
InChIKey ZVPRFVPNPUSIQF-AWSIMMLFSA-N
Mol Weight 670.9 g/mol
Molecular Formula C50H42N2
Exact Mass 670.334799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Evasg0tclss
Name (1R,2R)-1,2-BIS-[(R)-4,5-DIHYDRO-3H-DINAPHTHO-[1,2-C:2',1'-E]-AZEPINO]-CYCLOHEXANE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H42N2
InChI InChI=1S/C50H42N2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-8,11-18,21-28,45-46H,9-10,19-20,29-32H2/t45-,46-/m1/s1
InChIKey ZVPRFVPNPUSIQF-AWSIMMLFSA-N
Literature Reference Author J.L.VASSE,R.STRANNE,R.ZALUBOVSKIS,C.GAYET,C.MOBERG
Literature Reference Citation J.ORG.CHEM.,68,3258(2003)
Literature Reference DOI 10.1021/jo026889e
Molecular Weight 670.897 g/mol
Solvent CDCl3
Source File Reference UWMS26312