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4-[(4-Methylphenyl)(cyano)methyl]-5-nitrobenzene-1,2-dicarbonitrile
SpectraBase Compound ID CULWc5Y2YkR
InChI InChI=1S/C17H10N4O2/c1-11-2-4-12(5-3-11)16(10-20)15-6-13(8-18)14(9-19)7-17(15)21(22)23/h2-7,16H,1H3
InChIKey XVXYGDCQEOBMKX-UHFFFAOYSA-N
Mol Weight 302.29 g/mol
Molecular Formula C17H10N4O2
Exact Mass 302.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU2Xd5TPT5u
Name 4-[(4-Methylphenyl)(cyano)methyl]-5-nitrobenzene-1,2-dicarbonitrile
Alternate Name(s) 4-(Cyano-p-tolylmethyl)-5-nitrophthalonitrile 4-(cyano(p-tolyl)methyl)-5-nitrophthalonitrile 4-[cyano-(4-methylphenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[cyano-(4-methylphenyl)methyl]-5-nitro-benzene-1,2-dicarbonitrile
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Formula C17H10N4O2
InChI InChI=1S/C17H10N4O2/c1-11-2-4-12(5-3-11)16(10-20)15-6-13(8-18)14(9-19)7-17(15)21(22)23/h2-7,16H,1H3
InChIKey XVXYGDCQEOBMKX-UHFFFAOYSA-N
Molecular Weight 302.293 g/mol
SMILES c1(N(=O)=O)c(cc(c(c1)C#N)C#N)C(C#N)c1ccc(cc1)C
SPLASH splash10-00ku-9170000000-498f462110b64419de79
Source of Spectrum HC-48-432-3b
Wiley ID 1739236