| SpectraBase Compound ID | DtXhPCuXXtW |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-11(2)10-17-14(16)9-8-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | JDSNVPCDHHNIPF-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 | HAlDSMYUs1E |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, isobutyl ester |
| 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/c1-11(2)10-17-14(16)9-8-13(15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | JDSNVPCDHHNIPF-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C(OCC(C)C)=O)CC(C=1C=CC=CC1)=O |