![1-(p-Chlorophenyl)sulfonyl]-3-isopentylurea](/api/spectrum/15UG93WtXAi/structure.png?h=300&w=458 "1-(p-Chlorophenyl)sulfonyl]-3-isopentylurea")
| SpectraBase Compound ID | 79LRhjJXLOj |
|---|---|
| InChI | InChI=1S/C12H17ClN2O3S/c1-9(2)7-8-14-12(16)15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16) |
| InChIKey | WADAHTIQZWWFHG-UHFFFAOYSA-N |
| Mol Weight | 304.79 g/mol |
| Molecular Formula | C12H17ClN2O3S |
| Exact Mass | 304.064841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15UG93WtXAi |
|---|---|
| Name | 1-(p-Chlorophenyl)sulfonyl]-3-isopentylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.064841286 u |
| Formula | C12H17ClN2O3S |
| InChI | InChI=1S/C12H17ClN2O3S/c1-9(2)7-8-14-12(16)15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16) |
| InChIKey | WADAHTIQZWWFHG-UHFFFAOYSA-N |
| Molecular Weight | 304.792 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)Cl)(=O)=O)C(NCCC(C)C)=O |