| SpectraBase Compound ID | K90FEdU3ylu |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3 |
| InChIKey | IECJPBILHHQJOS-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZvXgLOG2KW |
|---|---|
| Name | 4-Phenyl-2-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3 |
| InChIKey | IECJPBILHHQJOS-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | CC(CC(CCC)C=1C=CC=CC1)=O |