| SpectraBase Compound ID | DlrDQii8qVC |
|---|---|
| InChI | InChI=1S/C14H14O5S2/c1-12-7-9-14(10-8-12)21(17,18)19-11-20(15,16)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | MXLIOQBUCUTNDK-UHFFFAOYSA-N |
| Mol Weight | 326.38 g/mol |
| Molecular Formula | C14H14O5S2 |
| Exact Mass | 326.028266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wsa62PMC7A |
|---|---|
| Name | Methanol, (phenylsulfonyl)-, 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.028265894 u |
| Formula | C14H14O5S2 |
| InChI | InChI=1S/C14H14O5S2/c1-12-7-9-14(10-8-12)21(17,18)19-11-20(15,16)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | MXLIOQBUCUTNDK-UHFFFAOYSA-N |
| Molecular Weight | 326.381 g/mol |
| SMILES | C1(S(OCS(=O)(=O)C2=CC=CC=C2)(=O)=O)=CC=C(C=C1)C |