![2-[(4-chlorophenyl)sulfanyl]-N-(1-isopropyl-2-methylpropyl)acetamide](/api/spectrum/52vEpOTZJoG/structure.png?h=300&w=458 "2-[(4-chlorophenyl)sulfanyl]-N-(1-isopropyl-2-methylpropyl)acetamide")
| SpectraBase Compound ID | DGQJIX9N5if |
|---|---|
| InChI | InChI=1S/C15H22ClNOS/c1-10(2)15(11(3)4)17-14(18)9-19-13-7-5-12(16)6-8-13/h5-8,10-11,15H,9H2,1-4H3,(H,17,18) |
| InChIKey | RMZFPBSMQNZROV-UHFFFAOYSA-N |
| Mol Weight | 299.86 g/mol |
| Molecular Formula | C15H22ClNOS |
| Exact Mass | 299.111063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52vEpOTZJoG |
|---|---|
| Name | 2-[(4-Chlorophenyl)sulfanyl]-N-(1-isopropyl-2-methylpropyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.111063205 u |
| Formula | C15H22ClNOS |
| InChI | InChI=1S/C15H22ClNOS/c1-10(2)15(11(3)4)17-14(18)9-19-13-7-5-12(16)6-8-13/h5-8,10-11,15H,9H2,1-4H3,(H,17,18) |
| InChIKey | RMZFPBSMQNZROV-UHFFFAOYSA-N |
| SMILES | N(C(C(C)C)C(C)C)C(=O)CSC=1C=CC(=CC1)Cl |