| SpectraBase Compound ID | 6dd9pP7l8Sa |
|---|---|
| InChI | InChI=1S/C15H15ClO4S/c1-12-2-8-15(9-3-12)21(17,18)20-11-10-19-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3 |
| InChIKey | UJORGZWGHSKFTI-UHFFFAOYSA-N |
| Mol Weight | 326.79 g/mol |
| Molecular Formula | C15H15ClO4S |
| Exact Mass | 326.037958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUq9fyu3Obo |
|---|---|
| Name | 2-(4-Chloranylphenoxy)ethyl 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.037957833 u |
| Formula | C15H15ClO4S |
| InChI | InChI=1S/C15H15ClO4S/c1-12-2-8-15(9-3-12)21(17,18)20-11-10-19-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3 |
| InChIKey | UJORGZWGHSKFTI-UHFFFAOYSA-N |
| Molecular Weight | 326.794 g/mol |
| SMILES | C=1(S(=O)(=O)OCCOC=2C=CC(=CC2)Cl)C=CC(=CC1)C |