| SpectraBase Compound ID | JPKRJbTQq8W |
|---|---|
| InChI | InChI=1S/C17H16O5/c18-16(12-5-1-2-6-12)21-13-7-3-8-14(11-13)22-17(19)15-9-4-10-20-15/h3-4,7-12H,1-2,5-6H2 |
| InChIKey | ASJCCSDKFJRLML-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJI67bkgkGE |
|---|---|
| Name | 1,3-Benzenediol, o-cyclopentanecarbonyl-o'-(2-furoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c18-16(12-5-1-2-6-12)21-13-7-3-8-14(11-13)22-17(19)15-9-4-10-20-15/h3-4,7-12H,1-2,5-6H2 |
| InChIKey | ASJCCSDKFJRLML-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)OC(C1CCCC1)=O)OC(=O)C=1OC=CC1 |