| SpectraBase Compound ID | 5gIbQKGaKUY |
|---|---|
| InChI | InChI=1S/C17H16O5/c18-16(12-6-1-2-7-12)21-13-8-3-4-9-14(13)22-17(19)15-10-5-11-20-15/h3-5,8-12H,1-2,6-7H2 |
| InChIKey | OUFNCJJYHXNYPG-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 | 3DfB3j5N8IP |
|---|---|
| Name | 1,2-Benzendiol, 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(12-6-1-2-7-12)21-13-8-3-4-9-14(13)22-17(19)15-10-5-11-20-15/h3-5,8-12H,1-2,6-7H2 |
| InChIKey | OUFNCJJYHXNYPG-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1OC(C1CCCC1)=O)OC(=O)C1=CC=CO1 |