| SpectraBase Compound ID | DqgHBn2BtIN |
|---|---|
| InChI | InChI=1S/C18H24N2O3S/c1-11-2-4-16(5-3-11)24(22,23)20-18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H2,19,20,21)/t12-,13+,14-,15+,17- |
| InChIKey | MCMHCADWWJYANZ-YUXNHXRJSA-N |
| Mol Weight | 348.46 g/mol |
| Molecular Formula | C18H24N2O3S |
| Exact Mass | 348.150764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6u97arng0a |
|---|---|
| Name | 1-(2-Adamantanyl)-3-(p-tolylsulfonyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.150763812 u |
| Formula | C18H24N2O3S |
| InChI | InChI=1S/C18H24N2O3S/c1-11-2-4-16(5-3-11)24(22,23)20-18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H2,19,20,21)/t12-,13+,14-,15+,17- |
| InChIKey | MCMHCADWWJYANZ-YUXNHXRJSA-N |
| Molecular Weight | 348.461 g/mol |
| SMILES | N(C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])C(NS(C=1C=CC(=CC1)C)(=O)=O)=O |