| SpectraBase Compound ID | 86cQnmP6PLk |
|---|---|
| InChI | InChI=1S/C13H12N2/c1-10-7-8-11(2)15(10)13-6-4-3-5-12(13)9-14/h3-8H,1-2H3 |
| InChIKey | PYDJICPAQOXUAA-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C13H12N2 |
| Exact Mass | 196.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EnYUivVs5c |
|---|---|
| Name | 2-(2,5-Dimethyl-1H-pyrrol-1-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.100048394 u |
| Formula | C13H12N2 |
| InChI | InChI=1S/C13H12N2/c1-10-7-8-11(2)15(10)13-6-4-3-5-12(13)9-14/h3-8H,1-2H3 |
| InChIKey | PYDJICPAQOXUAA-UHFFFAOYSA-N |
| Molecular Weight | 196.253 g/mol |
| SMILES | C1(N2C(=CC=C2C)C)=C(C#N)C=CC=C1 |