| 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)
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| SpectraBase Spectrum ID | bElcnBLssv |
|---|---|
| Name | 4-Nitrophthalonitrile |
| Alternate Name(s) | 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 |
| CAS Registry Number | 31643-49-9 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Wiley ID | 1169649 |