![Ethyl 2-[(4-methylphenyl)methyl]-3-oxobutanoate](/api/spectrum/DPt1mtl0hIh/structure.png?h=300&w=458 "Ethyl 2-[(4-methylphenyl)methyl]-3-oxobutanoate")
| SpectraBase Compound ID | JnsEF02VquU |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)9-12-7-5-10(2)6-8-12/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | PGMCRCMQNWICNI-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPt1mtl0hIh |
|---|---|
| Name | Ethyl 2-[(4-methylphenyl)methyl]-3-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)9-12-7-5-10(2)6-8-12/h5-8,13H,4,9H2,1-3H3 |
| InChIKey | PGMCRCMQNWICNI-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C1=CC(=CC=C1CC(C(C)=O)C(OCC)=O)C |