| SpectraBase Compound ID | 5Z0G5L3VkdC |
|---|---|
| InChI | InChI=1S/C19H28O3/c1-15(2)11-13-21-18-8-5-17(6-9-18)7-10-19(20)22-14-12-16(3)4/h5-10,15-16H,11-14H2,1-4H3/b10-7+ |
| InChIKey | DWQPXPGUGMQOIS-JXMROGBWSA-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 | 1oET4A45AAP |
|---|---|
| Name | p-Coumaric acid, 3-methylbutyl ether, 3-methylbutyl 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/c1-15(2)11-13-21-18-8-5-17(6-9-18)7-10-19(20)22-14-12-16(3)4/h5-10,15-16H,11-14H2,1-4H3/b10-7+ |
| InChIKey | DWQPXPGUGMQOIS-JXMROGBWSA-N |
| Molecular Weight | 304.430 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OCCC(C)C)OCCC(C)C |