| SpectraBase Compound ID | A0q3MJsBJVh |
|---|---|
| InChI | InChI=1S/C8H10O4S/c1-11-7-3-5-8(6-4-7)13(9,10)12-2/h3-6H,1-2H3 |
| InChIKey | IQEHSUZNQISVKO-UHFFFAOYSA-N |
| Mol Weight | 202.22 g/mol |
| Molecular Formula | C8H10O4S |
| Exact Mass | 202.02998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0eHJsKTEh9 |
|---|---|
| Name | 4-Methoxyphenylsulphonic_Acid-methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.029979972 u |
| Formula | C8H10O4S |
| InChI | InChI=1S/C8H10O4S/c1-11-7-3-5-8(6-4-7)13(9,10)12-2/h3-6H,1-2H3 |
| InChIKey | IQEHSUZNQISVKO-UHFFFAOYSA-N |
| Molecular Weight | 202.224 g/mol |
| SMILES | C=1(OC)C=CC(=CC1)S(=O)(=O)OC |