| SpectraBase Compound ID | 35aDqN9sYiF |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-9(7-14(16)19-5)6-10(2)12-8-13(18-4)11(3)15(17)20-12/h6,8-9H,7H2,1-5H3/b10-6+ |
| InChIKey | SBNRAVHMYHEVMN-UXBLZVDNSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RBnm5eC2Cq |
|---|---|
| Name | 3',4'-Dihydroinfectopyrone, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-9(7-14(16)19-5)6-10(2)12-8-13(18-4)11(3)15(17)20-12/h6,8-9H,7H2,1-5H3/b10-6+ |
| InChIKey | SBNRAVHMYHEVMN-UXBLZVDNSA-N |
| SMILES | C1=C(OC(C(=C1OC)C)=O)\C(=C\C(CC(OC)=O)C)C |