| SpectraBase Compound ID | F7clXY9c4iC |
|---|---|
| InChI | InChI=1S/C14H16O6/c15-6-1-2-11(18-7-5-14(16)17)10-3-4-12-13(8-10)20-9-19-12/h1-4,8,11,15H,5-7,9H2,(H,16,17)/b2-1- |
| InChIKey | FNRNITCCVDMWQO-UPHRSURJSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IM54c8hgRh0 |
|---|---|
| Name | (+-)-(Z)-5-(1,3-benzodioxol-5-yl)-8-hydroxy-4-oxaoct-6-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c15-6-1-2-11(18-7-5-14(16)17)10-3-4-12-13(8-10)20-9-19-12/h1-4,8,11,15H,5-7,9H2,(H,16,17)/b2-1- |
| InChIKey | FNRNITCCVDMWQO-UPHRSURJSA-N |
| SMILES | C12=CC(C(\C=C/CO)OCCC(=O)O)=CC=C2OCO1 |