| SpectraBase Compound ID | AiXeC5v1QLS |
|---|---|
| InChI | InChI=1S/C17H24O3/c1-3-5-13-19-16-10-7-15(8-11-16)9-12-17(18)20-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3/b12-9+ |
| InChIKey | LWPQUSKLUJTTPI-FMIVXFBMSA-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 | 2hzmg4DU31F |
|---|---|
| Name | p-Coumaric acid, N-butyl ether, N-butyl 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/c1-3-5-13-19-16-10-7-15(8-11-16)9-12-17(18)20-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3/b12-9+ |
| InChIKey | LWPQUSKLUJTTPI-FMIVXFBMSA-N |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OCCCC)OCCCC |