![4-(p-Fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine](/api/spectrum/3sKGD3Z6yYH/structure.png?h=300&w=458 "4-(p-Fluorophenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine")
| SpectraBase Compound ID | FdH9NjkhcJQ |
|---|---|
| InChI | InChI=1S/C12H8FN3S/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16) |
| InChIKey | WHRWMQBGUPTYQB-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C12H8FN3S |
| Exact Mass | 245.042297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sKGD3Z6yYH |
|---|---|
| Name | 4-(p-Fluorophenyl)sulfanyl-7H-pyrrolo[2,3-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.042296607 u |
| Formula | C12H8FN3S |
| InChI | InChI=1S/C12H8FN3S/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16) |
| InChIKey | WHRWMQBGUPTYQB-UHFFFAOYSA-N |
| Molecular Weight | 245.275 g/mol |
| SMILES | C1(=C2C(NC=C2)=NC=N1)SC1=CC=C(C=C1)F |