| SpectraBase Compound ID | 9DM1lsoWNob |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-9-3-5-11(6-4-9)7-8-12(14)15-10(2)13/h3-8H,1-2H3/b8-7+ |
| InChIKey | AEMVTEQIVLYFTH-BQYQJAHWSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89ynxGpNmqQ |
|---|---|
| Name | 4-Methylcinnamic acid, o-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-9-3-5-11(6-4-9)7-8-12(14)15-10(2)13/h3-8H,1-2H3/b8-7+ |
| InChIKey | AEMVTEQIVLYFTH-BQYQJAHWSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C1=CC(\C=C\C(OC(C)=O)=O)=CC=C1C |