| SpectraBase Compound ID | KYuWpXT9DOF |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-3-16-12(15)10-6-4-9(5-7-10)11(14)8(2)13/h4-7H,3H2,1-2H3 |
| InChIKey | PRHHJSMYEAHZFY-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MSP5AMorbK |
|---|---|
| Name | Ethyl 4-(2-oxopropanoyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-3-16-12(15)10-6-4-9(5-7-10)11(14)8(2)13/h4-7H,3H2,1-2H3 |
| InChIKey | PRHHJSMYEAHZFY-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C(C)=O)=O)C(OCC)=O |