![4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-D]pyrimidine](/api/spectrum/DHKzadWrv6t/structure.png?h=300&w=458 "4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-D]pyrimidine")
| SpectraBase Compound ID | 3JBJJVmBvTn |
|---|---|
| InChI | InChI=1S/C18H12ClN3/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H |
| InChIKey | INLZGZMAUAHURP-UHFFFAOYSA-N |
| Mol Weight | 305.77 g/mol |
| Molecular Formula | C18H12ClN3 |
| Exact Mass | 305.071975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DHKzadWrv6t |
|---|---|
| Name | 4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.071975098 u |
| Formula | C18H12ClN3 |
| InChI | InChI=1S/C18H12ClN3/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H |
| InChIKey | INLZGZMAUAHURP-UHFFFAOYSA-N |
| Molecular Weight | 305.768 g/mol |
| SMILES | C1(Cl)=NC=NC2=C1C(=CN2C1=CC=CC=C1)C1=CC=CC=C1 |