| SpectraBase Compound ID | CS7pLXsE4pK |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-4-6-7-9-12-15(3)20-18(19)17(5-2)16-13-10-8-11-14-16/h8-15,17H,4-7H2,1-3H3/b12-9+ |
| InChIKey | PRQHFUJYDIPSFX-FMIVXFBMSA-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 | 8keswPr1Y2Z |
|---|---|
| Name | Butyric acid, 2-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/c1-4-6-7-9-12-15(3)20-18(19)17(5-2)16-13-10-8-11-14-16/h8-15,17H,4-7H2,1-3H3/b12-9+ |
| InChIKey | PRQHFUJYDIPSFX-FMIVXFBMSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | C(C(C(OC(\C=C\CCCC)C)=O)C1=CC=CC=C1)C |