| SpectraBase Compound ID | DVu3FvUppgp |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9(10(2)14-11(3)13)12-7-5-4-6-8-12/h4-8,10H,1H2,2-3H3 |
| InChIKey | XUBBVGOMZDNLGT-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gaw7Bb5JFe1 |
|---|---|
| Name | 3-Phenylbut-3-en-2-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-9(10(2)14-11(3)13)12-7-5-4-6-8-12/h4-8,10H,1H2,2-3H3 |
| InChIKey | XUBBVGOMZDNLGT-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C=1C=C(C(=C)C(C)OC(C)=O)C=CC1 |