| SpectraBase Compound ID | FQjEBgLxYLm |
|---|---|
| InChI | InChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | PIHILDSKUZXCLF-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnOosJHB8KG |
|---|---|
| Name | 3-Pentanone, 2-methyl-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3 |
| InChIKey | PIHILDSKUZXCLF-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1=CC=CC=C1C(C)C(=O)C(C)C |