| SpectraBase Compound ID | 4DJiLdYPa0I |
|---|---|
| InChI | InChI=1S/C13H13N/c1-13(2,3)9-8-11-4-6-12(10-14)7-5-11/h4-7H,1-3H3 |
| InChIKey | XWIGNDNNNOAXFE-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DQ3aEFTJ1C |
|---|---|
| Name | 4-(3',3'-Dimethylbut-1'-ynyl)-benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.104799423 u |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c1-13(2,3)9-8-11-4-6-12(10-14)7-5-11/h4-7H,1-3H3 |
| InChIKey | XWIGNDNNNOAXFE-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C(#CC=1C=CC(C#N)=CC1)C(C)(C)C |