![Propanedinitrile, 2-[(4-nitrophenyl)methylene]-](/api/spectrum/hQiHb0CtuU/structure.png?h=300&w=458 "Propanedinitrile, 2-[(4-nitrophenyl)methylene]-")
| SpectraBase Compound ID | 9rAaxHdOFSq |
|---|---|
| InChI | InChI=1S/C10H7N3/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5H,13H2 |
| InChIKey | IOWNEECKBOJVEL-UHFFFAOYSA-N |
| Mol Weight | 169.19 g/mol |
| Molecular Formula | C10H7N3 |
| Exact Mass | 169.063997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hQiHb0CtuU |
|---|---|
| Name | Propanedinitrile, 2-[(4-nitrophenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.063997237 u |
| Formula | C10H7N3 |
| InChI | InChI=1S/C10H7N3/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5H,13H2 |
| InChIKey | IOWNEECKBOJVEL-UHFFFAOYSA-N |
| Molecular Weight | 169.187 g/mol |
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)N |