| SpectraBase Compound ID | 6S2i7zKHr79 |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c16-10-14(17)19-12-8-4-5-9-13(12)20-15(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2 |
| InChIKey | LTBGPLUHZULSGT-UHFFFAOYSA-N |
| Mol Weight | 296.75 g/mol |
| Molecular Formula | C15H17ClO4 |
| Exact Mass | 296.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsqI3ZDhFn5 |
|---|---|
| Name | 1,2-Benzenediol, o-chloroacetyl-o'-cyclohexanecarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.081536723 u |
| Formula | C15H17ClO4 |
| InChI | InChI=1S/C15H17ClO4/c16-10-14(17)19-12-8-4-5-9-13(12)20-15(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2 |
| InChIKey | LTBGPLUHZULSGT-UHFFFAOYSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C1(=CC=CC=C1OC(CCl)=O)OC(=O)C1CCCCC1 |