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2-(3-Allylbicyclo[1.1.1]pentan-1-yl)-2-phenylpropanenitrile
SpectraBase Compound ID 1pnYRtb3ClQ
InChI InChI=1S/C17H19N/c1-3-9-16-10-17(11-16,12-16)15(2,13-18)14-7-5-4-6-8-14/h3-8H,1,9-12H2,2H3
InChIKey BBNUVFWYXUFNAP-UHFFFAOYSA-N
Mol Weight 237.35 g/mol
Molecular Formula C17H19N
Exact Mass 237.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PyIxUXvHeK
Name 2-(3-Allylbicyclo[1.1.1]pentan-1-yl)-2-phenylpropanenitrile
Appearance Colorless liquid
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Formula C17H19N
InChI InChI=1S/C17H19N/c1-3-9-16-10-17(11-16,12-16)15(2,13-18)14-7-5-4-6-8-14/h3-8H,1,9-12H2,2H3
InChIKey BBNUVFWYXUFNAP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202009340
Molecular Weight 237.346 g/mol
Reported Formula C17H19N
SMILES c1c(cccc1)C(C)(C12CC(CC=C)(C2)C1)C#N
SPLASH splash10-0059-7900000000-be0ca9caa0cdfb1ab212
Source of Spectrum ACI-59-SM41-22b
Wiley ID 1858374