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1-(cyclohexylethynyl)-4-nitrobenzene
SpectraBase Compound ID GfGiAD5fO1A
InChI InChI=1S/C14H15NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h8-12H,1-5H2
InChIKey CHOABYKIDPKIDG-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HGw3lsWCu
Name 1-(cyclohexylethynyl)-4-nitrobenzene
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h8-12H,1-5H2
InChIKey CHOABYKIDPKIDG-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900472
Molecular Weight 229.279 g/mol
SMILES C1(C#Cc2ccc(cc2)[N+](=O)[O-])CCCCC1
SPLASH splash10-0fc0-2910000000-c1ef9d804f1224ca69c7
Source of Spectrum ASC-361-SM13-13j
Thin-Layer Chromatography Rf = 0.40 (Hexane)
Wiley ID 1835311