| SpectraBase Compound ID | Fx3WmSgePMd |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-12-8-9-21(3)13(2)15(23)6-7-18(21)22(12,4)11-14-19(25)16(24)10-17(27-5)20(14)26/h10,12,15,18,23,25H,2,6-9,11H2,1,3-5H3/t12-,15?,18+,21+,22+/m0/s1 |
| InChIKey | OFPOBEOTKMSZTA-LRSFTMDESA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HiW7xL2MJp8 |
|---|---|
| Name | 3-Hydroxyilimaquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.209324061 u |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-12-8-9-21(3)13(2)15(23)6-7-18(21)22(12,4)11-14-19(25)16(24)10-17(27-5)20(14)26/h10,12,15,18,23,25H,2,6-9,11H2,1,3-5H3/t12-,15?,18+,21+,22+/m0/s1 |
| InChIKey | OFPOBEOTKMSZTA-LRSFTMDESA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | C1(=C(C(=O)C=C(C1=O)OC)O)C[C@]1([C@]2([C@](C(=C)C(CC2)O)(C)CC[C@@]1(C)[H])[H])C |