| SpectraBase Compound ID | CXcb0bTJNtc |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-14-12(13)8-7-11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3/b8-7+ |
| InChIKey | QQRJPDCUZPIHFK-BQYQJAHWSA-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 | DjsvnrWEJeE |
|---|---|
| Name | 2-Propenoic acid, 3-(3-methylphenyl)-, ethyl ester |
| 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/c1-3-14-12(13)8-7-11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3/b8-7+ |
| InChIKey | QQRJPDCUZPIHFK-BQYQJAHWSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(=CC(=CC=C1)\C=C\C(OCC)=O)C |