| SpectraBase Compound ID | 74yN4OoOb6f |
|---|---|
| InChI | InChI=1S/C17H18O6/c1-7-5-9-12(8(2)23-7)16(20)13-10(18)6-11(21-3)17(22-4)14(13)15(9)19/h6-8,18H,5H2,1-4H3/t7-,8+/m0/s1 |
| InChIKey | IPGJOXYGZYCCCK-JGVFFNPUSA-N |
| Mol Weight | 318.33 g/mol |
| Molecular Formula | C17H18O6 |
| Exact Mass | 318.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | R1EoCr9zFX |
|---|---|
| Name | 9-Desmethyl-ventiloquinone - E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.110338294 u |
| Formula | C17H18O6 |
| InChI | InChI=1S/C17H18O6/c1-7-5-9-12(8(2)23-7)16(20)13-10(18)6-11(21-3)17(22-4)14(13)15(9)19/h6-8,18H,5H2,1-4H3/t7-,8+/m0/s1 |
| InChIKey | IPGJOXYGZYCCCK-JGVFFNPUSA-N |
| Molecular Weight | 318.325 g/mol |
| SMILES | C12=C(C(=O)C3=C(C2=O)C(=CC(OC)=C3OC)O)C[C@@](O[C@@]1(C)[H])(C)[H] |