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4-(Cyanophenylmethyl)-5-nitrophthalonitrile
SpectraBase Compound ID 1BsqsdgYH8J
InChI InChI=1S/C16H8N4O2/c17-8-12-6-14(16(20(21)22)7-13(12)9-18)15(10-19)11-4-2-1-3-5-11/h1-7,15H
InChIKey FNYVSUBBADTHGW-UHFFFAOYSA-N
Mol Weight 288.27 g/mol
Molecular Formula C16H8N4O2
Exact Mass 288.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMOWOl81OL0
Name 4-(Cyanophenylmethyl)-5-nitrophthalonitrile
Alternate Name(s) 4-(cyano(phenyl)methyl)-5-nitrophthalonitrile 4-[cyano(phenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[cyano(phenyl)methyl]-5-nitro-benzene-1,2-dicarbonitrile
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Formula C16H8N4O2
InChI InChI=1S/C16H8N4O2/c17-8-12-6-14(16(20(21)22)7-13(12)9-18)15(10-19)11-4-2-1-3-5-11/h1-7,15H
InChIKey FNYVSUBBADTHGW-UHFFFAOYSA-N
Molecular Weight 288.266 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)C#N)C#N)C(C#N)c1ccccc1
SPLASH splash10-0g4i-1090000000-3ebfaf813fe270a0b029
Source of Spectrum HC-48-432-3a
Wiley ID 1734200