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5-(Cyclohexylimino)-5-phenylpentanenitrile
SpectraBase Compound ID GvfJt3kAf05
InChI InChI=1S/C17H22N2/c18-14-8-7-13-17(15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h1,3-4,9-10,16H,2,5-8,11-13H2/b19-17+
InChIKey JVQCUQPXRFQICT-HTXNQAPBSA-N
Mol Weight 254.38 g/mol
Molecular Formula C17H22N2
Exact Mass 254.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uLLkgAwNTH
Name 5-(Cyclohexylimino)-5-phenylpentanenitrile
Alternate Name(s) (E)-5-(cyclohexylimino)-5-phenylpentanenitrile
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Formula C17H22N2
InChI InChI=1S/C17H22N2/c18-14-8-7-13-17(15-9-3-1-4-10-15)19-16-11-5-2-6-12-16/h1,3-4,9-10,16H,2,5-8,11-13H2/b19-17+
InChIKey JVQCUQPXRFQICT-HTXNQAPBSA-N
Literature Reference DOI 10.1002/anie.201302460
Molecular Weight 254.377 g/mol
SMILES c1cc(ccc1)\C(CCCC#N)=N\C1CCCCC1
SPLASH splash10-0a4i-2900000000-68f3cd62460e56f22db2
Source of Spectrum ACI-52-SMS5-1c
Wiley ID 1781489