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2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
SpectraBase Compound ID GvjN2oEU6jC
InChI InChI=1S/C17H16N2/c18-12-17-16-9-5-4-8-15(16)10-11-19(17)13-14-6-2-1-3-7-14/h1-9,17H,10-11,13H2
InChIKey ODRUROFSSYDHFL-UHFFFAOYSA-N
Mol Weight 248.33 g/mol
Molecular Formula C17H16N2
Exact Mass 248.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8gaQu16Nqg
Name 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
Appearance Colorless solid
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Exact Mass 248.131348523 u
Formula C17H16N2
InChI InChI=1S/C17H16N2/c18-12-17-16-9-5-4-8-15(16)10-11-19(17)13-14-6-2-1-3-7-14/h1-9,17H,10-11,13H2
InChIKey ODRUROFSSYDHFL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603057
Molecular Weight 248.329 g/mol
Quality 161
SMILES C1(=CC=CC=C1)CN1C(C2=C(CC1)C=CC=C2)C#N
SPLASH splash10-05fs-2790000000-81b6dd7a7705390645a1
Source of Spectrum QE-22-SM11-9a (DOI: 10.1002/chem.201603057)
Thin-Layer Chromatography 0.11 (n-pentane/EtOAc, 20:1)
Wiley ID 1905168