| SpectraBase Compound ID | 2gmyHoINiyR |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-11(2)19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12(3)4/h5-12H,1-4H3/b10-9+ |
| InChIKey | JKWAKYYGIFONBV-MDZDMXLPSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Idv3VCcaMdS |
|---|---|
| Name | Trans-o-coumaric acid, o-isopropyloxycarbonyl-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-11(2)19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12(3)4/h5-12H,1-4H3/b10-9+ |
| InChIKey | JKWAKYYGIFONBV-MDZDMXLPSA-N |
| SMILES | C(\C=C\C1=C(OC(OC(C)C)=O)C=CC=C1)(OC(C)C)=O |