| SpectraBase Compound ID | 5uDoZvbX5aD |
|---|---|
| InChI | InChI=1S/C16H18O4/c17-15(11-5-1-2-6-11)19-13-7-3-4-8-14(13)20-16(18)12-9-10-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2 |
| InChIKey | VTTWMTQBSWERKS-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jC0ktWIOCg |
|---|---|
| Name | 1,2-Benzenediol, o-cyclopentanecarbonyl-o'-cyclopropanecarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c17-15(11-5-1-2-6-11)19-13-7-3-4-8-14(13)20-16(18)12-9-10-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2 |
| InChIKey | VTTWMTQBSWERKS-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1OC(=O)C1CCCC1)OC(=O)C1CC1 |