| SpectraBase Compound ID | 5AgcYp8ulyg |
|---|---|
| InChI | InChI=1S/C13H20N2O3S/c1-10(2)8-9-14-13(16)15-19(17,18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16) |
| InChIKey | ZIBUVBUKSWSCHD-UHFFFAOYSA-N |
| Mol Weight | 284.37 g/mol |
| Molecular Formula | C13H20N2O3S |
| Exact Mass | 284.119464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcEDjxzkzuW |
|---|---|
| Name | 1-Isopentyl-3-(p-tolylsulfonyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.119463683 u |
| Formula | C13H20N2O3S |
| InChI | InChI=1S/C13H20N2O3S/c1-10(2)8-9-14-13(16)15-19(17,18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16) |
| InChIKey | ZIBUVBUKSWSCHD-UHFFFAOYSA-N |
| Molecular Weight | 284.374 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)C(NCCC(C)C)=O |