| SpectraBase Compound ID | DIjljFoHcji |
|---|---|
| InChI | InChI=1S/C9H8ClN/c1-7-2-3-8(6-11)4-9(7)5-10/h2-4H,5H2,1H3 |
| InChIKey | MTQQNBFEIVZUIB-UHFFFAOYSA-N |
| Mol Weight | 165.62 g/mol |
| Molecular Formula | C9H8ClN |
| Exact Mass | 165.034527 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FyODhCLtjP0 |
|---|---|
| Name | 3-(chloromethyl)-4-methylbenzonitrile |
| Alternate Name(s) | 3-(chloromethyl)-4-methyl-benzenecarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8ClN |
| InChI | InChI=1S/C9H8ClN/c1-7-2-3-8(6-11)4-9(7)5-10/h2-4H,5H2,1H3 |
| InChIKey | MTQQNBFEIVZUIB-UHFFFAOYSA-N |
| Molecular Weight | 165.623 g/mol |
| SMILES | C(#N)c1cc(CCl)c(cc1)C |
| SPLASH | splash10-001i-1900000000-ceac7485b4b56ef5929f |
| Source of Spectrum | O1-32-1455-2 |
| Wiley ID | 819109 |