| SpectraBase Compound ID | 7wbXs70rcZH |
|---|---|
| InChI | InChI=1S/C12H16O/c1-8-5-9(2)12(7-11(4)13)10(3)6-8/h5-6H,7H2,1-4H3 |
| InChIKey | MBIXGEBUUSDULP-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 | 2Y3C9hK0PPG |
|---|---|
| Name | 1-Mesitylpropan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-8-5-9(2)12(7-11(4)13)10(3)6-8/h5-6H,7H2,1-4H3 |
| InChIKey | MBIXGEBUUSDULP-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.5b02344 |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(C(C)=O)c1c(C)cc(C)cc1C |
| SPLASH | splash10-001i-0900000000-cb3052a6cff58efaae1a |
| Source of Spectrum | A1-17-4612/SM21-2ac |
| Wiley ID | 1802411 |