| SpectraBase Compound ID | HVoOxcPeb7t |
|---|---|
| InChI | InChI=1S/C17H24O3/c1-11(2)15(8-7-13(4)18)16-10-12(3)6-9-17(16)20-14(5)19/h6,9-11,15H,7-8H2,1-5H3 |
| InChIKey | JSVVAMZJTPLBKT-UHFFFAOYSA-N |
| Mol Weight | 276.38 g/mol |
| Molecular Formula | C17H24O3 |
| Exact Mass | 276.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82miQoYJBjl |
|---|---|
| Name | 5-(6-Hydroxy-m-tolyl)-6-methyl-2-heptanone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.172544630 u |
| Formula | C17H24O3 |
| InChI | InChI=1S/C17H24O3/c1-11(2)15(8-7-13(4)18)16-10-12(3)6-9-17(16)20-14(5)19/h6,9-11,15H,7-8H2,1-5H3 |
| InChIKey | JSVVAMZJTPLBKT-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC(=C1)C)C(CCC(C)=O)C(C)C)OC(C)=O |