| SpectraBase Compound ID | LcCisreHE1T |
|---|---|
| InChI | InChI=1S/C11H13N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,10H,2,8H2,1H3 |
| InChIKey | JAFTYOFHYXIJHA-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Knr5IJo0QtI |
|---|---|
| Name | 3-Phenylpentanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,10H,2,8H2,1H3 |
| InChIKey | JAFTYOFHYXIJHA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201402053 |
| Molecular Weight | 159.232 g/mol |
| SMILES | c1cc(C(CC#N)CC)ccc1 |
| SPLASH | splash10-00kf-8900000000-296752e417f7f0ecc980 |
| Source of Spectrum | ACI-53-SM42-5j |
| Wiley ID | 1782486 |