| SpectraBase Compound ID | 9GAdFO9XhVK |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,10H,5-7H2 |
| InChIKey | AQEBSMBBHRCHJM-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YgvLS5IvFT |
|---|---|
| Name | 4-(4-Chlorophenyl)-1,3-dioxane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,10H,5-7H2 |
| InChIKey | AQEBSMBBHRCHJM-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C1(OCOCC1)C=1C=CC(=CC1)Cl |