| SpectraBase Compound ID | K1UN0zdfREv |
|---|---|
| InChI | InChI=1S/C13H17N/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9H,4-5H2,1-3H3 |
| InChIKey | YBASOBYKVCNWTN-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2FNtxnhOi6 |
|---|---|
| Name | 3-(4-Tert-butylphenyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9H,4-5H2,1-3H3 |
| InChIKey | YBASOBYKVCNWTN-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C(#N)CCC1=CC=C(C(C)(C)C)C=C1 |