![Ethanol, 2-[(4-methoxyphenyl)sulfonyl]-](/api/spectrum/9LiRIzufV04/structure.png?h=300&w=458 "Ethanol, 2-[(4-methoxyphenyl)sulfonyl]-")
| SpectraBase Compound ID | 83gddp07kOB |
|---|---|
| InChI | InChI=1S/C9H12O4S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | PHKWJZLIMDFBKQ-UHFFFAOYSA-N |
| Mol Weight | 216.25 g/mol |
| Molecular Formula | C9H12O4S |
| Exact Mass | 216.04563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LiRIzufV04 |
|---|---|
| Name | Ethanol, 2-[(4-methoxyphenyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.045630036 u |
| Formula | C9H12O4S |
| InChI | InChI=1S/C9H12O4S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | PHKWJZLIMDFBKQ-UHFFFAOYSA-N |
| Molecular Weight | 216.251 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)S(=O)(=O)CCO |