| SpectraBase Compound ID | K1fdoWjIWp3 |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+ |
| InChIKey | PRMJJYPTAPQRAC-YRNVUSSQSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C18H26O2 |
| Exact Mass | 274.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AVwS4RYLFd |
|---|---|
| Name | Butyric acid, 4-phenyl-, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.193280075 u |
| Formula | C18H26O2 |
| InChI | InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+ |
| InChIKey | PRMJJYPTAPQRAC-YRNVUSSQSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(OC(\C=C\CCCC)C)=O |