| SpectraBase Compound ID | 7MbJNqqveRP |
|---|---|
| InChI | InChI=1S/C11H13N/c1-9-4-3-5-11(8-9)10(2)6-7-12/h3-5,8,10H,6H2,1-2H3 |
| InChIKey | IXOVKTWIBYKMRE-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 | EMglta534VQ |
|---|---|
| Name | 3-(m-Tolyl)butanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-9-4-3-5-11(8-9)10(2)6-7-12/h3-5,8,10H,6H2,1-2H3 |
| InChIKey | IXOVKTWIBYKMRE-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201402053 |
| Molecular Weight | 159.232 g/mol |
| SMILES | c1(cc(C(CC#N)C)ccc1)C |
| SPLASH | splash10-014i-1900000000-2858a1bd88098966e7d2 |
| Source of Spectrum | ACI-53-SM38-5e |
| Wiley ID | 1782481 |