| SpectraBase Compound ID | 5Ju7jpEPtJg |
|---|---|
| InChI | InChI=1S/C14H14O3/c1-3-11(2)17-14(16)10-9-13(15)12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | LPQSZKLNDUYKJD-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C14H14O3 |
| Exact Mass | 230.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8EhNzH2lhv |
|---|---|
| Name | 4-oxo-4-Phenylbutyric acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.094294308 u |
| Formula | C14H14O3 |
| InChI | InChI=1S/C14H14O3/c1-3-11(2)17-14(16)10-9-13(15)12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | LPQSZKLNDUYKJD-UHFFFAOYSA-N |
| Molecular Weight | 230.263 g/mol |
| SMILES | C(C(OC(C#C)C)=O)CC(C=1C=CC=CC1)=O |