| SpectraBase Compound ID | HtxoGxDdMrY |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9,14H,2-3,10H2,1H3/b9-6+ |
| InChIKey | XEPISKMSORQJRU-RMKNXTFCSA-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 | DxPy8uxUWRg |
|---|---|
| Name | Butyl (E)-4-hydroxycinnamate |
| 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/c1-2-3-10-16-13(15)9-6-11-4-7-12(14)8-5-11/h4-9,14H,2-3,10H2,1H3/b9-6+ |
| InChIKey | XEPISKMSORQJRU-RMKNXTFCSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)O)(=O)OCCCC |