| SpectraBase Compound ID | BY0IFrfzW6J |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-4-5-10-6-14-8-12(13(2,3)16)20-15(14,7-11(10)17)19-9-18-14/h4,6,12H,1,5,7-9H2,2-3H3/t12-,14-,15+/m1/s1 |
| InChIKey | ZOJGTHHDHANILU-YUELXQCFSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCyJ3QsYAZm |
|---|---|
| Name | 2(R)-12-Chloroillicinone E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-4-5-10-6-14-8-12(13(2,3)16)20-15(14,7-11(10)17)19-9-18-14/h4,6,12H,1,5,7-9H2,2-3H3/t12-,14-,15+/m1/s1 |
| InChIKey | ZOJGTHHDHANILU-YUELXQCFSA-N |
| SMILES | [C@@]123[C@@](C=C(C(C3)=O)CC=C)(C[C@@](O1)(C(Cl)(C)C)[H])OCO2 |