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(1R,6R,7S,8R,9S)-9-METHYL-8-PHENYL-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-4-AZA-3,5-DIOXATRICYCLO-[5.2.1.0(4,9)]-DECANE
SpectraBase Compound ID HwgyLDeH6WF
InChI InChI=1S/C26H31NO3/c1-26-20-16-22(24(26)19-12-6-3-7-13-19)25(30-27(26)28-17-20)29-23-15-9-8-14-21(23)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21-,22+,23+,24-,25-,26-/m0/s1
InChIKey GXMJJKHUQSNKNH-XMDZHUTCSA-N
Mol Weight 405.54 g/mol
Molecular Formula C26H31NO3
Exact Mass 405.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jp3gThtnwkK
Name (1R,6R,7S,8R,9S)-9-METHYL-8-PHENYL-6-[(1R,2S)-(2-PHENYLCYCLOHEXYL)-OXY]-4-AZA-3,5-DIOXATRICYCLO-[5.2.1.0(4,9)]-DECANE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31NO3
InChI InChI=1S/C26H31NO3/c1-26-20-16-22(24(26)19-12-6-3-7-13-19)25(30-27(26)28-17-20)29-23-15-9-8-14-21(23)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21-,22+,23+,24-,25-,26-/m0/s1
InChIKey GXMJJKHUQSNKNH-XMDZHUTCSA-N
Literature Reference Author S.E.DENMARK,J.A.DIXON
Literature Reference Citation J.ORG.CHEM.,63,6178(1998)
Literature Reference DOI 10.1021/jo9802170
Molecular Weight 405.537 g/mol
Sample ID 28881
Solvent C6D6