| SpectraBase Compound ID | I13taS2Nmh2 |
|---|---|
| InChI | InChI=1S/C17H24O3/c1-13(2)11-19-16-8-5-15(6-9-16)7-10-17(18)20-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3/b10-7+ |
| InChIKey | CMRBGFDCOXGFBE-JXMROGBWSA-N |
| Mol Weight | 276.38 g/mol |
| Molecular Formula | C17H24O3 |
| Exact Mass | 276.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5V46UwDoTG |
|---|---|
| Name | p-Coumaric acid, 2-methylpropyl ether, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.172544630 u |
| Formula | C17H24O3 |
| InChI | InChI=1S/C17H24O3/c1-13(2)11-19-16-8-5-15(6-9-16)7-10-17(18)20-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3/b10-7+ |
| InChIKey | CMRBGFDCOXGFBE-JXMROGBWSA-N |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OCC(C)C)OCC(C)C |