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(E)-2-(Benzylideneamino)-4,5-dimethylbenzonitrile
SpectraBase Compound ID 2VT6o4BWxWX
InChI InChI=1S/C16H14N2/c1-12-8-15(10-17)16(9-13(12)2)18-11-14-6-4-3-5-7-14/h3-9,11H,1-2H3/b18-11+
InChIKey KVLKLDSDYQCBHR-WOJGMQOQSA-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 BjiB9tV5vUI
Name (E)-2-(Benzylideneamino)-4,5-dimethylbenzonitrile
Appearance Yellow solid
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Exact Mass 234.115698459 u
Formula C16H14N2
InChI InChI=1S/C16H14N2/c1-12-8-15(10-17)16(9-13(12)2)18-11-14-6-4-3-5-7-14/h3-9,11H,1-2H3/b18-11+
InChIKey KVLKLDSDYQCBHR-WOJGMQOQSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201702310
Molecular Weight 234.302 g/mol
Quality 109
Reported Formula C16H14N2
SMILES C1(=CC=CC=C1)\C=N\C1=C(C=C(C(=C1)C)C)C#N
SPLASH splash10-001i-0190000000-a57285b8211cb9f9b61b
Source of Spectrum ACI-56-SM8-1p (DOI: 10.1002/anie.201702310)
Wiley ID 1895926