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5-methyl-7-phenyl-6H-1,4-diazepine-2,3-dicarbonitrile
SpectraBase Compound ID ANM5E75GM8W
InChI InChI=1S/C14H10N4/c1-10-7-12(11-5-3-2-4-6-11)18-14(9-16)13(8-15)17-10/h2-6H,7H2,1H3
InChIKey YZGMHVUBQVDZBQ-UHFFFAOYSA-N
Mol Weight 234.26 g/mol
Molecular Formula C14H10N4
Exact Mass 234.090546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Btgfo456pY0
Name 5-methyl-7-phenyl-6H-1,4-diazepine-2,3-dicarbonitrile
CAS Registry Number 56984-06-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H10N4
InChI InChI=1S/C14H10N4/c1-10-7-12(11-5-3-2-4-6-11)18-14(9-16)13(8-15)17-10/h2-6H,7H2,1H3
InChIKey YZGMHVUBQVDZBQ-UHFFFAOYSA-N
Molecular Weight 234.262 g/mol
SMILES C(#N)C=1N=C(c2ccccc2)CC(=NC1C#N)C
SPLASH splash10-00lr-0090000000-9d77d625e4d350a74f60
Source of Spectrum J-41-632-0
Wiley ID 1236023