![2-[(p-Chlorophenyl)thio]pyrimidine](/api/spectrum/Jli1QYoIKUu/structure.png?h=300&w=458 "2-[(p-Chlorophenyl)thio]pyrimidine")
| SpectraBase Compound ID | LgJHa0kTJeq |
|---|---|
| InChI | InChI=1S/C10H7ClN2S/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H |
| InChIKey | GYVSGYAJRNOUDV-UHFFFAOYSA-N |
| Mol Weight | 222.69 g/mol |
| Molecular Formula | C10H7ClN2S |
| Exact Mass | 222.001847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jli1QYoIKUu |
|---|---|
| Name | 2-[(p-Chlorophenyl)thio]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.001847107 u |
| Formula | C10H7ClN2S |
| InChI | InChI=1S/C10H7ClN2S/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H |
| InChIKey | GYVSGYAJRNOUDV-UHFFFAOYSA-N |
| Molecular Weight | 222.693 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)SC=1N=CC=CN1 |