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1-(4-Cyanophenyl)-6-methylpiperidin-2-one
SpectraBase Compound ID 9XtjgggML61
InChI InChI=1S/C13H14N2O/c1-10-3-2-4-13(16)15(10)12-7-5-11(9-14)6-8-12/h5-8,10H,2-4H2,1H3
InChIKey IBQVIZYBLOVIJR-UHFFFAOYSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VxoUuZZYwa
Name 1-(4-Cyanophenyl)-6-methylpiperidin-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.110613078 u
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c1-10-3-2-4-13(16)15(10)12-7-5-11(9-14)6-8-12/h5-8,10H,2-4H2,1H3
InChIKey IBQVIZYBLOVIJR-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201509465
Molecular Weight 214.268 g/mol
Quality 171
SMILES C=1(C=CC(N2C(C)CCCC2=O)=CC1)C#N
SPLASH splash10-0005-0920000000-eac17f12bbcda2ba5774
Source of Spectrum ACI-55-SM17-7m (DOI: 10.1002/anie.201509465)
Wiley ID 1895285