| SpectraBase Compound ID | CsQRkCo3SbV |
|---|---|
| InChI | InChI=1S/C14H14O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h1,3-9H,10-12H2 |
| InChIKey | YFHXFLJONGJWOS-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C14H14O2 |
| Exact Mass | 214.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4xo76YMc0w |
|---|---|
| Name | 3-Phenylpropionic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.099379689 u |
| Formula | C14H14O2 |
| InChI | InChI=1S/C14H14O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h1,3-9H,10-12H2 |
| InChIKey | YFHXFLJONGJWOS-UHFFFAOYSA-N |
| Molecular Weight | 214.264 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OCC=CC#C)=O |