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2-Phenyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
SpectraBase Compound ID JpK3m8DTVI1
InChI InChI=1S/C16H14N2/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-11H2
InChIKey JFDUBCIPPATLNR-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C16H14N2
Exact Mass 234.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hhJrvk8sg5
Name 2-Phenyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
Appearance Colorless solid
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Exact Mass 234.115698459 u
Formula C16H14N2
InChI InChI=1S/C16H14N2/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-11H2
InChIKey JFDUBCIPPATLNR-UHFFFAOYSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603057
Molecular Weight 234.302 g/mol
Quality 184
SMILES C1(=CC=CC=C1)N1C(C2=C(CC1)C=CC=C2)C#N
SPLASH splash10-0a7i-0590000000-a1c0530b04ea6a600c12
Source of Spectrum QE-22-SM12-9b (DOI: 10.1002/chem.201603057)
Thin-Layer Chromatography 0.14 (n-pentane/EtOAc, 20:1)
Wiley ID 1905169