| SpectraBase Compound ID | 9B9y9SRgzdB |
|---|---|
| InChI | InChI=1S/C12H15N/c1-3-11(4-2)12-7-5-10(9-13)6-8-12/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | WMGKDKGPNWXCDS-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 | IWlo4QJyPwQ |
|---|---|
| Name | 4-(1-Ethylpropyl)benzonitrile |
| 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/c1-3-11(4-2)12-7-5-10(9-13)6-8-12/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | WMGKDKGPNWXCDS-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C(#N)C1=CC=C(C=C1)C(CC)CC |