| SpectraBase Compound ID | LnaLfPQ76pD |
|---|---|
| InChI | InChI=1S/C21H24O9/c1-11(22)27-19(20(28-12(2)23)21(4,5)30-13(3)24)15-9-14-7-8-18(25)29-16(14)10-17(15)26-6/h7-10,19-20H,1-6H3 |
| InChIKey | MMBOUPYEUJRIGG-UHFFFAOYSA-N |
| Mol Weight | 420.41 g/mol |
| Molecular Formula | C21H24O9 |
| Exact Mass | 420.142032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ilKDhsZYvH |
|---|---|
| Name | Citrusol, triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.142032344 u |
| Formula | C21H24O9 |
| InChI | InChI=1S/C21H24O9/c1-11(22)27-19(20(28-12(2)23)21(4,5)30-13(3)24)15-9-14-7-8-18(25)29-16(14)10-17(15)26-6/h7-10,19-20H,1-6H3 |
| InChIKey | MMBOUPYEUJRIGG-UHFFFAOYSA-N |
| Molecular Weight | 420.414 g/mol |
| SMILES | C1(C=CC2=CC(=C(C=C2O1)OC)C(C(C(C)(C)OC(=O)C)OC(=O)C)OC(=O)C)=O |