| SpectraBase Compound ID | LILjrMlbw3a |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-4-10(14)9-6-7-11(12(8-9)16-3)17-13(15)5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | CSUAFTFXQJKOCS-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 | 99GcGnfsROz |
|---|---|
| Name | 4'-Hydoxy-3'-methoxypropiophenone, propionate |
| 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/c1-4-10(14)9-6-7-11(12(8-9)16-3)17-13(15)5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | CSUAFTFXQJKOCS-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC(CC)=O)C(CC)=O |