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Rel-(5S,6R,10R,13S)-5,6,7,8,9,10,11,12,13,14-decahydro-13-phenyl-5,6,10-nitrilo-benzocyclododecene

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Rel-(5S,6R,10R,13S)-5,6,7,8,9,10,11,12,13,14-decahydro-13-phenyl-5,6,10-nitrilo-benzocyclododecene
SpectraBase Compound ID 7dothfnTOeH
InChI InChI=1S/C22H25N/c1-2-7-16(8-3-1)17-13-14-19-10-6-12-21-22(23(19)21)20-11-5-4-9-18(20)15-17/h1-5,7-9,11,17,19,21-22H,6,10,12-15H2
InChIKey GRSYNMOOBNPGKY-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C22H25N
Exact Mass 303.1987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlRnGz5gjd
Name Rel-(5S,6R,10R,13S)-5,6,7,8,9,10,11,12,13,14-decahydro-13-phenyl-5,6,10-nitrilo-benzocyclododecene
Comments DEUTERATED AT C5,C14
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25N
InChI InChI=1S/C22H25N/c1-2-7-16(8-3-1)17-13-14-19-10-6-12-21-22(23(19)21)20-11-5-4-9-18(20)15-17/h1-5,7-9,11,17,19,21-22H,6,10,12-15H2
InChIKey GRSYNMOOBNPGKY-UHFFFAOYSA-N
Instrument Name Jeol GX-270
Literature Reference T.A. Crabb, C.J. Roxburgh, R.F.Newton, J. Chem. Soc. Perkin I 2905 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3