| SpectraBase Compound ID | KtvDEaxE7Sa |
|---|---|
| InChI | InChI=1S/C14H18O5/c1-8(6-13(15)16)5-9(2)11-7-12(18-4)10(3)14(17)19-11/h5,7-8H,6H2,1-4H3,(H,15,16) |
| InChIKey | MPAYQRIVOSEDQH-UHFFFAOYSA-N |
| Mol Weight | 266.29 g/mol |
| Molecular Formula | C14H18O5 |
| Exact Mass | 266.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEPfEgOldKt |
|---|---|
| Name | 3',4'-Dihydroinfectopyrone (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.115423675 u |
| Formula | C14H18O5 |
| InChI | InChI=1S/C14H18O5/c1-8(6-13(15)16)5-9(2)11-7-12(18-4)10(3)14(17)19-11/h5,7-8H,6H2,1-4H3,(H,15,16) |
| InChIKey | MPAYQRIVOSEDQH-UHFFFAOYSA-N |
| Molecular Weight | 266.293 g/mol |
| SMILES | C1=C(OC(C(=C1OC)C)=O)\C(=C\C(CC(O)=O)C)C |