| SpectraBase Compound ID | HDgjdM3vIQv |
|---|---|
| InChI | InChI=1S/C12H15N/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | CERYQSTXDBMLOP-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 | 68295iSPve |
|---|---|
| Name | 2-(4-Butylphenyl)acetonitrile |
| 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/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | CERYQSTXDBMLOP-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C(#N)CC=1C=CC(=CC1)CCCC |