| SpectraBase Compound ID | pFtRxTE3ky |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LFHSFGIXTQENJM-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbAIQ9ISOLn |
|---|---|
| Name | 4-oxo-4-p-Tolylbutanoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | LFHSFGIXTQENJM-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | CC1=CC=C(C(CCC(=O)OCC)=O)C=C1 |