![N-(1-adamantyl)-N'-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]urea](/api/spectrum/FLNKBkVUPVe/structure.png?h=300&w=458 "N-(1-adamantyl)-N'-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]urea")
| SpectraBase Compound ID | HCwD3ARbSTd |
|---|---|
| InChI | InChI=1S/C21H25FN4O/c22-18-3-1-14(2-4-18)12-26-13-19(11-23-26)24-20(27)25-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,11,13,15-17H,5-10,12H2,(H2,24,25,27)/t15-,16+,17-,21- |
| InChIKey | SJEVPFJOYJIHGT-YFHKMKNMSA-N |
| Mol Weight | 368.46 g/mol |
| Molecular Formula | C21H25FN4O |
| Exact Mass | 368.20124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLNKBkVUPVe |
|---|---|
| Name | N-(1-Adamantyl)-N'-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.201239603 u |
| Formula | C21H25FN4O |
| InChI | InChI=1S/C21H25FN4O/c22-18-3-1-14(2-4-18)12-26-13-19(11-23-26)24-20(27)25-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,11,13,15-17H,5-10,12H2,(H2,24,25,27)/t15-,16+,17-,21- |
| InChIKey | SJEVPFJOYJIHGT-YFHKMKNMSA-N |
| Molecular Weight | 368.456 g/mol |
| SMILES | N(C(=O)NC1=CN(N=C1)CC=1C=CC(=CC1)F)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |