| SpectraBase Compound ID | 9uhhcyX4uQY |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3/b8-5+ |
| InChIKey | BDCAQAAKRKWXFW-VMPITWQZSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYp1Y4xexkz |
|---|---|
| Name | (E)-(3-Phenylallyl) 3-oxobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-11(14)10-13(15)16-9-5-8-12-6-3-2-4-7-12/h2-8H,9-10H2,1H3/b8-5+ |
| InChIKey | BDCAQAAKRKWXFW-VMPITWQZSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C(C(=O)OC\C=C\C=1C=CC=CC1)C(=O)C |