| SpectraBase Compound ID | JlSDbWfmHfX |
|---|---|
| InChI | InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)/t12-,13+,14-,17- |
| InChIKey | VESXWSWSGQONHC-ZZNDEYBLSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C17H28N2O |
| Exact Mass | 276.220164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcNF3mL3uwX |
|---|---|
| Name | 1-(Adamantan-1-yl)-3-cyclohexylurea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.220163529 u |
| Formula | C17H28N2O |
| InChI | InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)/t12-,13+,14-,17- |
| InChIKey | VESXWSWSGQONHC-ZZNDEYBLSA-N |
| SMILES | C12(NC(=O)NC3CCCCC3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |