| SpectraBase Compound ID | LgfKbEM07HK |
|---|---|
| InChI | InChI=1S/C12H12O5/c1-7(13)12-10(16-8(2)14)5-4-6-11(12)17-9(3)15/h4-6H,1-3H3 |
| InChIKey | BQSKGNHSFVZDGZ-UHFFFAOYSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0XcfXzdUJN |
|---|---|
| Name | 2',6'-Dihydroxyacetophenone, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.068473481 u |
| Formula | C12H12O5 |
| InChI | InChI=1S/C12H12O5/c1-7(13)12-10(16-8(2)14)5-4-6-11(12)17-9(3)15/h4-6H,1-3H3 |
| InChIKey | BQSKGNHSFVZDGZ-UHFFFAOYSA-N |
| Molecular Weight | 236.223 g/mol |
| SMILES | C1(=CC=CC(=C1C(=O)C)OC(C)=O)OC(C)=O |