| SpectraBase Compound ID | 6fLrwd0gw5S |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-10(15)8-13(14(17)11(2)16)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-9H2,1-2H3 |
| InChIKey | OPEIMRSPIOAAQK-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOBSkrVVHuD |
|---|---|
| Name | 4-Benzyl-3-hydroxyheptane-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-10(15)8-13(14(17)11(2)16)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-9H2,1-2H3 |
| InChIKey | OPEIMRSPIOAAQK-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(CC(C)=O)(C(C(C)=O)O)CC1=CC=CC=C1 |