| SpectraBase Compound ID | AayvbciRmeQ |
|---|---|
| InChI | InChI=1S/C10H11NS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7H2,1H3 |
| InChIKey | PENAHQPTHCKJFR-UHFFFAOYSA-N |
| Mol Weight | 177.26 g/mol |
| Molecular Formula | C10H11NS |
| Exact Mass | 177.061221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gwbdqT4FV5 |
|---|---|
| Name | 4-(Propylthio)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H11NS |
| InChI | InChI=1S/C10H11NS/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7H2,1H3 |
| InChIKey | PENAHQPTHCKJFR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.6b00208 |
| Molecular Weight | 177.265 g/mol |
| SMILES | C(Sc1ccc(cc1)C#N)CC |
| SPLASH | splash10-002r-0900000000-af8b34d51e372b6b7514 |
| Source of Spectrum | A1-18-876/SM9-2c |
| Wiley ID | 1805231 |