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4-(2-Oxo-3-cyclohexylpropyl)benzonitrile
SpectraBase Compound ID C3xKNOyS7aW
InChI InChI=1S/C16H19NO/c17-12-15-8-6-14(7-9-15)11-16(18)10-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
InChIKey XZURNFPTSUYJPK-UHFFFAOYSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34vE5Nkbsmu
Name 4-(2-Oxo-3-cyclohexylpropyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c17-12-15-8-6-14(7-9-15)11-16(18)10-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
InChIKey XZURNFPTSUYJPK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol3017148
Molecular Weight 241.334 g/mol
SMILES c1cc(ccc1CC(CC1CCCCC1)=O)C#N
SPLASH splash10-004j-6900000000-46224b183b69464b9af1
Source of Spectrum A1-14-3804/SMS7-Table2,entry13
Synonyms 4-(3-cyclohexyl-2-oxopropyl)benzonitrile
Wiley ID 1750510