| SpectraBase Compound ID | K3HcmF2rweg |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | NWTOGXOYOXREQL-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwGUudaLfnJ |
|---|---|
| Name | 1-Phenyloctane-1,2-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | NWTOGXOYOXREQL-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1=CC=CC=C1C(=O)C(CCCCCC)=O |