| SpectraBase Compound ID | 1mo2AvUStho |
|---|---|
| InChI | InChI=1S/C20H18O9/c1-11(21)27-15-7-5-13(19(23)25-3)9-17(15)29-18-10-14(20(24)26-4)6-8-16(18)28-12(2)22/h5-10H,1-4H3 |
| InChIKey | ZWNHCNZFSDASFE-UHFFFAOYSA-N |
| Mol Weight | 402.36 g/mol |
| Molecular Formula | C20H18O9 |
| Exact Mass | 402.095082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Jnr9z5cuZ0 |
|---|---|
| Name | Diacetyl-cylindol A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.095082151 u |
| Formula | C20H18O9 |
| InChI | InChI=1S/C20H18O9/c1-11(21)27-15-7-5-13(19(23)25-3)9-17(15)29-18-10-14(20(24)26-4)6-8-16(18)28-12(2)22/h5-10H,1-4H3 |
| InChIKey | ZWNHCNZFSDASFE-UHFFFAOYSA-N |
| Molecular Weight | 402.355 g/mol |
| SMILES | C=1(OC=2C(OC(=O)C)=CC=C(C(=O)OC)C2)C(OC(=O)C)=CC=C(C(=O)OC)C1 |