| SpectraBase Compound ID | 8jztDFcrH4z |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c17-11-10-15(18)20-13-8-4-5-9-14(13)21-16(19)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2 |
| InChIKey | KCHYIQMGAWNOFH-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjrKlOCosWL |
|---|---|
| Name | 1,2-Benzenediol, o-(3-chloropropionyl)-o'-cyclohexanecarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c17-11-10-15(18)20-13-8-4-5-9-14(13)21-16(19)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2 |
| InChIKey | KCHYIQMGAWNOFH-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C1CCC(CC1)C(OC=1C(=CC=CC1)OC(=O)CCCl)=O |