| SpectraBase Compound ID | 85llHDw4m2b |
|---|---|
| InChI | InChI=1S/C12H12N2/c1-10(7-11(8-13)9-14)12-5-3-2-4-6-12/h2-6,10-11H,7H2,1H3 |
| InChIKey | KUILDBWYYDFBPC-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C12H12N2 |
| Exact Mass | 184.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbBLlnNeefu |
|---|---|
| Name | 2-(2-Phenylpropyl)propanedinitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.100048394 u |
| Formula | C12H12N2 |
| InChI | InChI=1S/C12H12N2/c1-10(7-11(8-13)9-14)12-5-3-2-4-6-12/h2-6,10-11H,7H2,1H3 |
| InChIKey | KUILDBWYYDFBPC-UHFFFAOYSA-N |
| Molecular Weight | 184.242 g/mol |
| SMILES | C(C)(CC(C#N)C#N)C1=CC=CC=C1 |