![2-Anilino-4-phenyl-6-[1-hydroxycyclohexylmethyl]pyrimidine](/api/spectrum/1KNCX3snCbi/structure.png?h=300&w=458 "2-Anilino-4-phenyl-6-[1-hydroxycyclohexylmethyl]pyrimidine")
| SpectraBase Compound ID | AJb9p8RNVD2 |
|---|---|
| InChI | InChI=1S/C23H25N3O/c27-23(14-8-3-9-15-23)17-20-16-21(18-10-4-1-5-11-18)26-22(25-20)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,16,27H,3,8-9,14-15,17H2,(H,24,25,26) |
| InChIKey | OEJUVQNAZCERAL-UHFFFAOYSA-N |
| Mol Weight | 359.47 g/mol |
| Molecular Formula | C23H25N3O |
| Exact Mass | 359.199762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KNCX3snCbi |
|---|---|
| Name | 2-Anilino-4-phenyl-6-[1-hydroxycyclohexylmethyl]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.199762436 u |
| Formula | C23H25N3O |
| InChI | InChI=1S/C23H25N3O/c27-23(14-8-3-9-15-23)17-20-16-21(18-10-4-1-5-11-18)26-22(25-20)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,16,27H,3,8-9,14-15,17H2,(H,24,25,26) |
| InChIKey | OEJUVQNAZCERAL-UHFFFAOYSA-N |
| Molecular Weight | 359.473 g/mol |
| SMILES | C1=C(N=C(N=C1CC1(CCCCC1)O)NC1=CC=CC=C1)C1=CC=CC=C1 |