| SpectraBase Compound ID | 1GMkDqj2UGu |
|---|---|
| InChI | InChI=1S/C10H9NO/c1-7-3-4-9(6-11)5-10(7)8(2)12/h3-5H,1-2H3 |
| InChIKey | SXJUDXWULIDYLR-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BajO9PY1oye |
|---|---|
| Name | 3-Acetyl-4-methylbenzonitrile |
| Alternate Name(s) | 3-Ethanoyl-4-methyl-benzenecarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c1-7-3-4-9(6-11)5-10(7)8(2)12/h3-5H,1-2H3 |
| InChIKey | SXJUDXWULIDYLR-UHFFFAOYSA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C(c1cc(c(cc1)C)C(=O)C)#N |
| SPLASH | splash10-0006-0900000000-cdd4998f611adc989f16 |
| Source of Spectrum | F4-0-2628-9 |
| Wiley ID | 1618765 |