| SpectraBase Compound ID | HytUUpWLZWE |
|---|---|
| InChI | InChI=1S/C18H12O7/c1-8(19)25-13-7-9(18(23)24-2)6-11-15(13)17(22)14-10(16(11)21)4-3-5-12(14)20/h3-7,20H,1-2H3 |
| InChIKey | RFUGFCYYWHTJHX-UHFFFAOYSA-N |
| Mol Weight | 340.29 g/mol |
| Molecular Formula | C18H12O7 |
| Exact Mass | 340.058303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVSsVcbEkIW |
|---|---|
| Name | Rhein meac P1155 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.058302719 u |
| Formula | C18H12O7 |
| InChI | InChI=1S/C18H12O7/c1-8(19)25-13-7-9(18(23)24-2)6-11-15(13)17(22)14-10(16(11)21)4-3-5-12(14)20/h3-7,20H,1-2H3 |
| InChIKey | RFUGFCYYWHTJHX-UHFFFAOYSA-N |
| Molecular Weight | 340.287 g/mol |
| SMILES | C1=CC=C2C(C3=C(C(=CC(=C3)C(=O)OC)OC(C)=O)C(C2=C1O)=O)=O |