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1-(3-Allylbicyclo[1.1.1]pentan-1-yl)cyclohex-2-ene-1-carbonitrile
SpectraBase Compound ID FnSWZecdyiS
InChI InChI=1S/C15H19N/c1-2-6-13-9-15(10-13,11-13)14(12-16)7-4-3-5-8-14/h2,4,7H,1,3,5-6,8-11H2
InChIKey HPIABGQQIOBRBN-UHFFFAOYSA-N
Mol Weight 213.32 g/mol
Molecular Formula C15H19N
Exact Mass 213.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2AeHXoXjYx
Name 1-(3-Allylbicyclo[1.1.1]pentan-1-yl)cyclohex-2-ene-1-carbonitrile
Appearance Colorless liquid
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Formula C15H19N
InChI InChI=1S/C15H19N/c1-2-6-13-9-15(10-13,11-13)14(12-16)7-4-3-5-8-14/h2,4,7H,1,3,5-6,8-11H2
InChIKey HPIABGQQIOBRBN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202009340
Molecular Weight 213.324 g/mol
Reported Formula C15H19N
SMILES C12(CC(C2)(C1)C1(C#N)C=CCCC1)CC=C
SPLASH splash10-004i-7900000000-beb5d29ce5a20ca6ebb9
Source of Spectrum ACI-59-SM42-22c
Wiley ID 1858375