![1-[p-Chlorophenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-[trifluoromethyl]-2-[pyrimidinyl]guanidine](/api/spectrum/EzVcaYvmaRk/structure.png?h=300&w=458 "1-[p-Chlorophenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-[trifluoromethyl]-2-[pyrimidinyl]guanidine")
| SpectraBase Compound ID | ILiFxlnROJ2 |
|---|---|
| InChI | InChI=1S/C18H23ClF3N7/c1-3-29(4-2)10-9-24-15-11-14(18(20,21)22)26-17(27-15)28-16(23)25-13-7-5-12(19)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H4,23,24,25,26,27,28) |
| InChIKey | WYJCUUQMCNWAEU-UHFFFAOYSA-N |
| Mol Weight | 429.88 g/mol |
| Molecular Formula | C18H23ClF3N7 |
| Exact Mass | 429.165556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzVcaYvmaRk |
|---|---|
| Name | 1-[p-Chlorophenyl]-3-[4-[[2-[diethylamino]ethyl]amino]-6-[trifluoromethyl]-2-[pyrimidinyl]guanidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.165555958 u |
| Formula | C18H23ClF3N7 |
| InChI | InChI=1S/C18H23ClF3N7/c1-3-29(4-2)10-9-24-15-11-14(18(20,21)22)26-17(27-15)28-16(23)25-13-7-5-12(19)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H4,23,24,25,26,27,28) |
| InChIKey | WYJCUUQMCNWAEU-UHFFFAOYSA-N |
| Molecular Weight | 429.879 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)NC(=N)NC1=NC(C(F)(F)F)=CC(=N1)NCCN(CC)CC |