| SpectraBase Compound ID | JlUsSFBBuXr |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-9(11(13)15-2)8-16-12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | WNADMYJZFVSGLU-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GuAuOyAM5t6 |
|---|---|
| Name | Propanoic acid, 3-(benzoyloxy)-2-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-9(11(13)15-2)8-16-12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | WNADMYJZFVSGLU-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=CC(=CC=C1)C(OCC(C(OC)=O)C)=O |