| SpectraBase Compound ID | AErW1qoX8OB |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | VYHIWVYNVGQASJ-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 | J6weMpOBqTs |
|---|---|
| Name | 6-Phenyl-3-hexanone |
| 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/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | VYHIWVYNVGQASJ-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | CCC(CCCC=1C=CC=CC1)=O |