| SpectraBase Compound ID | 3csVEQBMpM1 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | ZQDZXEFWUCNPMG-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YV6O6rybNm |
|---|---|
| Name | Methyl 2-methyl-3-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | ZQDZXEFWUCNPMG-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(C(CC1=CC=CC=C1)C)(=O)OC |