| SpectraBase Compound ID | 8WhtRcfRntG |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-4-5-6-7-11-8-12(10(2)15)14(17)9-13(11)16/h8-9,16-17H,3-7H2,1-2H3 |
| InChIKey | VHAHDEBHRBHPIK-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 | BjArA7kqV6f |
|---|---|
| Name | 1-(5-Hexyl-2,4-dihydroxyphenyl)ethanone |
| 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/c1-3-4-5-6-7-11-8-12(10(2)15)14(17)9-13(11)16/h8-9,16-17H,3-7H2,1-2H3 |
| InChIKey | VHAHDEBHRBHPIK-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1(=C(C=C(C(=C1)O)C(C)=O)CCCCCC)O |