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3-(4-aminophenyl)benzonitrile
SpectraBase Compound ID FegdlUCh1Oo
InChI InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
InChIKey CYKMHHNPZOCBKT-UHFFFAOYSA-N
Mol Weight 194.24 g/mol
Molecular Formula C13H10N2
Exact Mass 194.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OLftBS0a3D
Name 3-(4-aminophenyl)benzonitrile
Appearance White solid
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Exact Mass 194.084398330 u
Formula C13H10N2
GC Column HP-5 (30 m x 320 x 0.25)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
InChIKey CYKMHHNPZOCBKT-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202210009
Molecular Weight 194.237 g/mol
Quality 265
Reported Formula C13H10N2
SMILES NC1=CC=C(C=C1)C=1C=C(C=CC1)C#N
SPLASH splash10-0006-0900000000-74357cc65eaad32fa264
Source of Spectrum ACI-61-SM14-3ja (DOI: 10.1002/anie.202210009)
Wiley ID 1899639