| SpectraBase Compound ID | BwYB2cSelPV |
|---|---|
| InChI | InChI=1S/C13H16ClNO/c1-13(2,9-14)12(8-15)10-4-6-11(16-3)7-5-10/h4-7,12H,9H2,1-3H3 |
| InChIKey | VYUJULDFYMKBJG-UHFFFAOYSA-N |
| Mol Weight | 237.73 g/mol |
| Molecular Formula | C13H16ClNO |
| Exact Mass | 237.092042 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ALRP7Mwbp1 |
|---|---|
| Name | 4-Chloro-2-(4-methoxyphenyl)-3,3-dimethylbutanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16ClNO |
| InChI | InChI=1S/C13H16ClNO/c1-13(2,9-14)12(8-15)10-4-6-11(16-3)7-5-10/h4-7,12H,9H2,1-3H3 |
| InChIKey | VYUJULDFYMKBJG-UHFFFAOYSA-N |
| Molecular Weight | 237.730 g/mol |
| SMILES | C(#N)C(C(CCl)(C)C)c1ccc(cc1)OC |
| SPLASH | splash10-0002-0900000000-6a6c6864be42bd601575 |
| Source of Spectrum | F-68-2495-49 |
| Wiley ID | 1708734 |