| SpectraBase Compound ID | CPBy2PQ2RGI |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h4-7H,3H2,1-2H3 |
| InChIKey | NSNRHFOGRGMKDN-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLPYBhV58yX |
|---|---|
| Name | 4-Acetoxypropiophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h4-7H,3H2,1-2H3 |
| InChIKey | NSNRHFOGRGMKDN-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C)=O)C(CC)=O |