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2-Pyridinecarbonitrile, 3-ethyl-1,4,5,6-tetrahydro-4-(hydroxyphenylmethyl)-1-methyl-, (R*,R*)-

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2-Pyridinecarbonitrile, 3-ethyl-1,4,5,6-tetrahydro-4-(hydroxyphenylmethyl)-1-methyl-, (R*,R*)-
SpectraBase Compound ID GKAsSCZ0mpn
InChI InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey MLIRXJNHTABBMK-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8STA8pNz52k
Name 1-Methyl-2-cyano-3-ethyl-4-(.alpha.-hydroxy-benzyl)-2-piperideine
CAS Registry Number 73663-52-2
Comments ISOMER 1, REASSIGNED (A.H.) CHEMICAL SHIFT VALUES MIGHT BE INTERCHANGED BETWEEN BOTH ISOMERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey MLIRXJNHTABBMK-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.S. Grierson, M. Harris, H.P. Husson, J. Am. Chem. Soc. 102, 1064 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3