| SpectraBase Compound ID | AOcQMNSCpmy |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-3-11-19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey | FGSLMVYELJNBLL-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 | BHYgiLVCWZd |
|---|---|
| Name | Trans-o-coumaric acid, o-(N-propyloxycarbonyl)-, N-propyl 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/c1-3-11-19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey | FGSLMVYELJNBLL-MDZDMXLPSA-N |
| SMILES | C1(=CC=CC=C1\C=C\C(=O)OCCC)OC(OCCC)=O |