![Maononitrile, [A-propyl-4-chlorobenzylidene]-](/api/spectrum/GfTXUZLqeq5/structure.png?h=300&w=458 "Maononitrile, [A-propyl-4-chlorobenzylidene]-")
| SpectraBase Compound ID | 2pR7h3MPy6p |
|---|---|
| InChI | InChI=1S/C13H11ClN2/c1-2-3-13(11(8-15)9-16)10-4-6-12(14)7-5-10/h4-7H,2-3H2,1H3 |
| InChIKey | YRZQUANSXKTBIO-UHFFFAOYSA-N |
| Mol Weight | 230.7 g/mol |
| Molecular Formula | C13H11ClN2 |
| Exact Mass | 230.061076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfTXUZLqeq5 |
|---|---|
| Name | Maononitrile, [A-propyl-4-chlorobenzylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.061076062 u |
| Formula | C13H11ClN2 |
| InChI | InChI=1S/C13H11ClN2/c1-2-3-13(11(8-15)9-16)10-4-6-12(14)7-5-10/h4-7H,2-3H2,1H3 |
| InChIKey | YRZQUANSXKTBIO-UHFFFAOYSA-N |
| Molecular Weight | 230.698 g/mol |
| SMILES | C(C1=CC=C(C=C1)Cl)(=C(C#N)C#N)CCC |