| SpectraBase Compound ID | 5fAfjzvpMi9 |
|---|---|
| InChI | InChI=1S/C19H28O3/c1-3-5-7-15-21-18-12-9-17(10-13-18)11-14-19(20)22-16-8-6-4-2/h9-14H,3-8,15-16H2,1-2H3/b14-11+ |
| InChIKey | UPJSDZTZQNSKSJ-SDNWHVSQSA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C19H28O3 |
| Exact Mass | 304.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4PQoitqNSKM |
|---|---|
| Name | p-Coumaric acid, N-pentyl ether, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.203844759 u |
| Formula | C19H28O3 |
| InChI | InChI=1S/C19H28O3/c1-3-5-7-15-21-18-12-9-17(10-13-18)11-14-19(20)22-16-8-6-4-2/h9-14H,3-8,15-16H2,1-2H3/b14-11+ |
| InChIKey | UPJSDZTZQNSKSJ-SDNWHVSQSA-N |
| Molecular Weight | 304.430 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OCCCCC)OCCCCC |