| SpectraBase Compound ID | 20qf2QAmDS8 |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3 |
| InChIKey | ZDQVLVGNNCOQLW-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 | JCkQw95H5tE |
|---|---|
| Name | 1-(2,5-dimethylphenyl)-1-butanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h6-8H,4-5H2,1-3H3 |
| InChIKey | ZDQVLVGNNCOQLW-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | c1(C(=O)CCC)c(ccc(c1)C)C |
| SPLASH | splash10-0gbc-9800000000-0fdfeb999490306eaa81 |
| Source of Spectrum | F-47-9122-3 |
| Synonyms | 1-(2,5-dimethylphenyl)butan-1-one |
| Wiley ID | 1172794 |