| SpectraBase Compound ID | OlSYBeHe6g |
|---|---|
| InChI | InChI=1S/C12H10N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,8H,4,7H2 |
| InChIKey | BFODASZCAPPTGS-UHFFFAOYSA-N |
| Mol Weight | 182.23 g/mol |
| Molecular Formula | C12H10N2 |
| Exact Mass | 182.084398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaGGAQXTr7V |
|---|---|
| Name | 2-(3-Phenylpropylidene)malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.084398330 u |
| Formula | C12H10N2 |
| InChI | InChI=1S/C12H10N2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,8H,4,7H2 |
| InChIKey | BFODASZCAPPTGS-UHFFFAOYSA-N |
| Molecular Weight | 182.226 g/mol |
| SMILES | C(C(C#N)=CCCC=1C=CC=CC1)#N |