| SpectraBase Compound ID | 3lfz5rw9dlK |
|---|---|
| InChI | InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2+ |
| InChIKey | XADKGDBMULSEAC-DUXPYHPUSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MoTkb9u8c9 |
|---|---|
| Name | Gorlic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2+ |
| InChIKey | XADKGDBMULSEAC-DUXPYHPUSA-N |
| SMILES | C(CCCC\C=C\CCCCCCC1C=CCC1)(=O)O |