| SpectraBase Compound ID | B7sU54A0Nte |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9(2)11(12(13)14-3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | YUOZTXHDHOQARN-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 | 7irFbwstwkp |
|---|---|
| Name | Methyl 3-methyl-2-phenylbut-2-enoate |
| 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(2)11(12(13)14-3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | YUOZTXHDHOQARN-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(C(=O)OC)(=C(C)C)C1=CC=CC=C1 |