![1-[(1-adamantyl)carbonyl]-3-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]urea](/api/spectrum/CT9EJa5ZDv2/structure.png?h=300&w=458 "1-[(1-adamantyl)carbonyl]-3-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]urea")
| SpectraBase Compound ID | DYiYh2mQOTd |
|---|---|
| InChI | InChI=1S/C22H23Cl2N3O3/c1-11-18(19(27-30-11)17-15(23)3-2-4-16(17)24)25-21(29)26-20(28)22-8-12-5-13(9-22)7-14(6-12)10-22/h2-4,12-14H,5-10H2,1H3,(H2,25,26,28,29)/t12-,13+,14-,22- |
| InChIKey | LLUHAQVUUCYDMX-MEFDUVCQSA-N |
| Mol Weight | 448.35 g/mol |
| Molecular Formula | C22H23Cl2N3O3 |
| Exact Mass | 447.111647 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CT9EJa5ZDv2 |
|---|---|
| Name | 1-[(1-adamantyl)carbonyl]-3-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H23Cl2N3O3 |
| InChI | InChI=1S/C22H23Cl2N3O3/c1-11-18(19(27-30-11)17-15(23)3-2-4-16(17)24)25-21(29)26-20(28)22-8-12-5-13(9-22)7-14(6-12)10-22/h2-4,12-14H,5-10H2,1H3,(H2,25,26,28,29)/t12-,13+,14-,22- |
| InChIKey | LLUHAQVUUCYDMX-MEFDUVCQSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46486M |
| Solvent | CDCl3 |