| SpectraBase Compound ID | CI4Xfpvn5eA |
|---|---|
| InChI | InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1 |
| InChIKey | MZKMQBPFGDJUFV-CQSZACIVSA-N |
| Mol Weight | 302.28 g/mol |
| Molecular Formula | C16H14O6 |
| Exact Mass | 302.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PBvoVlpqIh |
|---|---|
| Name | Thunberginol E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.079038165 u |
| Formula | C16H14O6 |
| InChI | InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1 |
| InChIKey | MZKMQBPFGDJUFV-CQSZACIVSA-N |
| Molecular Weight | 302.282 g/mol |
| SMILES | C1(C=2C(=CC(=CC2O)O)C[C@@](O1)(C1=CC(O)=C(C=C1)OC)[H])=O |