| SpectraBase Compound ID | 9G8AY6O5tft |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(2)16-13(14)9-8-11-6-4-5-7-12(11)15-3/h4-10H,1-3H3/b9-8+ |
| InChIKey | OQBSEORHDBHHJT-CMDGGOBGSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jln6KBh5HUv |
|---|---|
| Name | Trans-2-methoxycinnamic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-10(2)16-13(14)9-8-11-6-4-5-7-12(11)15-3/h4-10H,1-3H3/b9-8+ |
| InChIKey | OQBSEORHDBHHJT-CMDGGOBGSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(OC(C)C)(=O)\C=C\C1=C(OC)C=CC=C1 |