| SpectraBase Compound ID | JjE25BPBiOM |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-3-11(2)15-13(14)10-9-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | APZMFOKMZRKWPN-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dzwqz4PncJy |
|---|---|
| Name | 3-Phenylpropionic 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 | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-3-11(2)15-13(14)10-9-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | APZMFOKMZRKWPN-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC(C#C)C)=O |