| SpectraBase Compound ID | 6I3cFJB4Dp0 |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-12(13)8-11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3 |
| InChIKey | NOQOJWZQHIULMT-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1uAb43rDx7b |
|---|---|
| Name | 1-(3,4-dimethylphenyl)-2-butanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-12(13)8-11-6-5-9(2)10(3)7-11/h5-7H,4,8H2,1-3H3 |
| InChIKey | NOQOJWZQHIULMT-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | CCC(Cc1cc(c(cc1)C)C)=O |
| SPLASH | splash10-00o0-1900000000-17c72617cccc5abe17f4 |
| Source of Spectrum | QB-20-236-0 |
| Wiley ID | 842153 |