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4-Nitrophthalonitrile
SpectraBase Compound ID yzVVD8YKs6
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
Mol Weight 173.13 g/mol
Molecular Formula C8H3N3O2
Exact Mass 173.022526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bElcnBLssv
Name 4-Nitrophthalonitrile
CAS Registry Number 31643-49-9
Comments Less than 3 mono-isotopic peaks
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Formula C8H3N3O2
InChI InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey NTZMSBAAHBICLE-UHFFFAOYSA-N
Molecular Weight 173.131 g/mol
SMILES c1(c(ccc(c1)N(=O)=O)C#N)C#N
SPLASH splash10-00fr-0900000000-b54ce3d525d8e6522a2b
Source of Spectrum J-55-2158-4
Synonyms 1,2-Benzenedicarbonitrile, 4-nitro- 1,2-Dicyano-4-nitrobenzene 3,4-Dicyanonitrobenzene 4-Nitro-1,2-benzenedicarbonitrile 4-Nitro-1,2-dicyanobenzene 4-Nitro-o-benzenedinitrile 4-nitrobenzene-1,2-dicarbonitrile 5-Nitro-1,2-benzenedicarbonitrile 5-Nitrobenzene-1,2-dicarbonitrile Benzene-1,2-dicarbonitrile, 4-nitro- Phthalonitrile, 4-nitro- EINECS 250-748-9 NSC 123374
Wiley ID 1169649