| SpectraBase Compound ID | E5X7PKfO1Tc |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-8(2)13(15)17-12-6-5-10(16-4)7-11(12)9(3)14/h5-8H,1-4H3 |
| InChIKey | PYGWFDYPVCQYRY-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1pLDxdk3ZKx |
|---|---|
| Name | 2'-Hydroxy-5'-methoxyacetophenone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-8(2)13(15)17-12-6-5-10(16-4)7-11(12)9(3)14/h5-8H,1-4H3 |
| InChIKey | PYGWFDYPVCQYRY-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(C(=O)C)=C(C=CC(=C1)OC)OC(C(C)C)=O |