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2-Pyridinecarbonitrile, 3-ethyl-1,2,5,6-tetrahydro-1-methyl-2-(3-oxocyclohexyl)-, (R*,S*)-
SpectraBase Compound ID 4H8JpOlwC2W
InChI InChI=1S/C15H22N2O/c1-3-12-7-5-9-17(2)15(12,11-16)13-6-4-8-14(18)10-13/h7,13H,3-6,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKey PABJHTHUYRXRFG-ZFWWWQNUSA-N
Mol Weight 246.35 g/mol
Molecular Formula C15H22N2O
Exact Mass 246.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEWg5t3AaNy
Name 2-Pyridinecarbonitrile, 3-ethyl-1,2,5,6-tetrahydro-1-methyl-2-(3-oxocyclohexyl)-, (R*,S*)-
CAS Registry Number 73658-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22N2O
InChI InChI=1S/C15H22N2O/c1-3-12-7-5-9-17(2)15(12,11-16)13-6-4-8-14(18)10-13/h7,13H,3-6,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKey PABJHTHUYRXRFG-ZFWWWQNUSA-N
Molecular Weight 246.354 g/mol
SMILES [C@@]1([C@@]2(CC(=O)CCC2)[H])(N(CCC=C1CC)C)C#N
SPLASH splash10-002b-0910000000-11c30610317f97386247
Source of Spectrum C-102-1080-0
Synonyms (2R)-3-ethyl-1-methyl-2-[(1S)-3-oxocyclohexyl]-1,2,5,6-tetrahydro-2-pyridinecarbonitrile 1-Methyl-2-cyano-2-(1-oxo-3'-cyclohexyl)-3-ethyl-3-piperideine
Wiley ID 1249313