![N-[2-(tert-butylthio)ethyl]-p-chlorobenzenesulfonamide](/api/spectrum/1RyDiUR2Boo/structure.png?h=300&w=458 "N-[2-(tert-butylthio)ethyl]-p-chlorobenzenesulfonamide")
| SpectraBase Compound ID | 5aJRGU9fVvv |
|---|---|
| InChI | InChI=1S/C12H18ClNO2S2/c1-12(2,3)17-9-8-14-18(15,16)11-6-4-10(13)5-7-11/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | KUFHZKIYVMHVNR-UHFFFAOYSA-N |
| Mol Weight | 307.85 g/mol |
| Molecular Formula | C12H18ClNO2S2 |
| Exact Mass | 307.046749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RyDiUR2Boo |
|---|---|
| Name | N-[2-(Tert-butylthio)ethyl]-p-chlorobenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.046748870 u |
| Formula | C12H18ClNO2S2 |
| InChI | InChI=1S/C12H18ClNO2S2/c1-12(2,3)17-9-8-14-18(15,16)11-6-4-10(13)5-7-11/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | KUFHZKIYVMHVNR-UHFFFAOYSA-N |
| Molecular Weight | 307.854 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)Cl)(=O)=O)CCSC(C)(C)C |