| SpectraBase Compound ID | BGKXFQuSLou |
|---|---|
| InChI | InChI=1S/C13H17N/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,9-11H,7H2,1-3H3 |
| InChIKey | YTDJXRUFJQWHQM-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 78cOk2HBbin |
|---|---|
| Name | (+)-3-(3-Isopropylphenyl)butyronitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,9-11H,7H2,1-3H3 |
| InChIKey | YTDJXRUFJQWHQM-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C(#N)CC(c1cc(C(C)C)ccc1)C |
| SPLASH | splash10-000t-0900000000-212c5f49c8ce475a2b2c |
| Source of Spectrum | KD-13-902-8 |
| Synonyms | 3-(3-Isopropylphenyl)butanenitrile |
| Wiley ID | 1635259 |