![7-Methyl-2,4-bis(4-methylphenyl)pyrrolo[2,3-d]pyrimidine](/api/spectrum/4F1BFS98yfH/structure.png?h=300&w=458 "7-Methyl-2,4-bis(4-methylphenyl)pyrrolo[2,3-d]pyrimidine")
| SpectraBase Compound ID | Dhj5bv0z0jg |
|---|---|
| InChI | InChI=1S/C21H19N3/c1-14-4-8-16(9-5-14)19-18-12-13-24(3)21(18)23-20(22-19)17-10-6-15(2)7-11-17/h4-13H,1-3H3 |
| InChIKey | YVHTYRYBETZWAQ-UHFFFAOYSA-N |
| Mol Weight | 313.4 g/mol |
| Molecular Formula | C21H19N3 |
| Exact Mass | 313.157898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4F1BFS98yfH |
|---|---|
| Name | 7-Methyl-2,4-bis(4-methylphenyl)pyrrolo[2,3-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.157897624 u |
| Formula | C21H19N3 |
| InChI | InChI=1S/C21H19N3/c1-14-4-8-16(9-5-14)19-18-12-13-24(3)21(18)23-20(22-19)17-10-6-15(2)7-11-17/h4-13H,1-3H3 |
| InChIKey | YVHTYRYBETZWAQ-UHFFFAOYSA-N |
| Molecular Weight | 313.404 g/mol |
| SMILES | C=12C(=C(C3=CC=C(C=C3)C)N=C(N1)C=1C=CC(=CC1)C)C=CN2C |