| SpectraBase Compound ID | Ehjb7YZyYtm |
|---|---|
| InChI | InChI=1S/C16H18O4S/c1-13-6-8-16(9-7-13)21(17,18)20-11-10-19-15-5-3-4-14(2)12-15/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | JVIGEDOYBFSPIL-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C16H18O4S |
| Exact Mass | 306.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFIrzG3nihr |
|---|---|
| Name | 2-(m-Tolyloxy)ethanol, p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.092580230 u |
| Formula | C16H18O4S |
| InChI | InChI=1S/C16H18O4S/c1-13-6-8-16(9-7-13)21(17,18)20-11-10-19-15-5-3-4-14(2)12-15/h3-9,12H,10-11H2,1-2H3 |
| InChIKey | JVIGEDOYBFSPIL-UHFFFAOYSA-N |
| Molecular Weight | 306.376 g/mol |
| SMILES | C=1C(=CC=C(C1)C)S(=O)(=O)OCCOC=1C=C(C=CC1)C |