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4-Cyclohexylbenzonitrile
SpectraBase Compound ID JPIY6FFSxBx
InChI InChI=1S/C13H15N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey OFYAEKMIQIIUAT-UHFFFAOYSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYgf7ZgRY4b
Name 4-Cyclohexylbenzonitrile
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N
InChI InChI=1S/C13H15N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey OFYAEKMIQIIUAT-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7820A-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808386
Molecular Weight 185.270 g/mol
Quality 104
SMILES C1(CCCCC1)C1=CC=C(C=C1)C#N
SPLASH splash10-004i-0900000000-b58737dadd929c7d751d
Source of Spectrum ACI-57-SM17-45 (DOI: 10.1002/anie.201808386)
Thin-Layer Chromatography 0.58 (10% ethyl acetate/hexane)
Wiley ID 1893436