| SpectraBase Compound ID | FJmfTYcVSxN |
|---|---|
| InChI | InChI=1S/C12H15N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7H2,1H3 |
| InChIKey | MWQUWRWZHPZLOZ-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C12H15N |
| Exact Mass | 173.120449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVIDe3zcRY8 |
|---|---|
| Name | 5-Phenylhexanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.120449487 u |
| Formula | C12H15N |
| InChI | InChI=1S/C12H15N/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7H2,1H3 |
| InChIKey | MWQUWRWZHPZLOZ-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C1=CC=CC(C(CCCC#N)C)=C1 |