| SpectraBase Compound ID | 3IIWnC0wwUY |
|---|---|
| InChI | InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3 |
| InChIKey | QPTHNVGZXBEQOJ-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 | 2dK2fxl8SMz |
|---|---|
| Name | 4-(4-Methylphenyl)pentan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4-7,10H,8H2,1-3H3 |
| InChIKey | QPTHNVGZXBEQOJ-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | c1(C(CC(=O)C)C)ccc(cc1)C |
| SPLASH | splash10-014i-1900000000-879e6b51e99b6d4f3c67 |
| Source of Spectrum | AJ-69-2345-3 |
| Synonyms | 4-(4-Methylphenyl)-2-pentanone |
| Wiley ID | 773802 |