| SpectraBase Compound ID | 7glK6TsW3OX |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-11(15)6-4-5-7-12-8-9-13(16-2)14(10-12)17-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | MPUSIPWZRGFZKZ-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VqF6nIJCHb |
|---|---|
| Name | 6-(3,4-Dimethoxyphenyl)hexan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-11(15)6-4-5-7-12-8-9-13(16-2)14(10-12)17-3/h8-10H,4-7H2,1-3H3 |
| InChIKey | MPUSIPWZRGFZKZ-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCCCC(=O)C)OC)OC |