![1-[(1-Adamantyl)carbonyl]-3-(p-chlorophenyl)urea](/api/spectrum/L8crW269FSs/structure.png?h=300&w=458 "1-[(1-Adamantyl)carbonyl]-3-(p-chlorophenyl)urea")
| SpectraBase Compound ID | CO9KTf2w9bF |
|---|---|
| InChI | InChI=1S/C18H21ClN2O2/c19-14-1-3-15(4-2-14)20-17(23)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)/t11-,12+,13-,18- |
| InChIKey | RCJGNEPCUKKOQL-MCXHQAMOSA-N |
| Mol Weight | 332.83 g/mol |
| Molecular Formula | C18H21ClN2O2 |
| Exact Mass | 332.129156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8crW269FSs |
|---|---|
| Name | 1-[(1-Adamantyl)carbonyl]-3-(p-chlorophenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.129155622 u |
| Formula | C18H21ClN2O2 |
| InChI | InChI=1S/C18H21ClN2O2/c19-14-1-3-15(4-2-14)20-17(23)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)/t11-,12+,13-,18- |
| InChIKey | RCJGNEPCUKKOQL-MCXHQAMOSA-N |
| Molecular Weight | 332.831 g/mol |
| SMILES | N(C1=CC=C(C=C1)Cl)C(NC(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O)=O |