| SpectraBase Compound ID | HRDcgNMkTeg |
|---|---|
| InChI | InChI=1S/C11H13N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3-6,10H,7H2,1-2H3 |
| InChIKey | XHPJPLJBQPXNGJ-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 | A2IOTMpG08K |
|---|---|
| Name | 3-(p-Tolyl)butanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3-6,10H,7H2,1-2H3 |
| InChIKey | XHPJPLJBQPXNGJ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201402053 |
| Molecular Weight | 159.232 g/mol |
| SMILES | c1cc(C(CC#N)C)ccc1C |
| SPLASH | splash10-014i-1900000000-08a95120bf559dade4bf |
| Source of Spectrum | ACI-53-SM38-5d |
| Wiley ID | 1782480 |