![Benzene, 1-[(2-chloroethyl)sulfonyl]-4-methoxy-](/api/spectrum/5pXINnjSRDP/structure.png?h=300&w=458 "Benzene, 1-[(2-chloroethyl)sulfonyl]-4-methoxy-")
| SpectraBase Compound ID | 1aIQgpNdMle |
|---|---|
| InChI | InChI=1S/C9H11ClO3S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | XXAYFPSUXJLYIT-UHFFFAOYSA-N |
| Mol Weight | 234.7 g/mol |
| Molecular Formula | C9H11ClO3S |
| Exact Mass | 234.011743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pXINnjSRDP |
|---|---|
| Name | Benzene, 1-[(2-chloroethyl)sulfonyl]-4-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.011743085 u |
| Formula | C9H11ClO3S |
| InChI | InChI=1S/C9H11ClO3S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | XXAYFPSUXJLYIT-UHFFFAOYSA-N |
| Molecular Weight | 234.697 g/mol |
| SMILES | C(S(=O)(=O)C1=CC=C(C=C1)OC)CCl |