| SpectraBase Compound ID | DHKGeNCBpsK |
|---|---|
| InChI | InChI=1S/C9H10N2S/c1-4-5-12-9-10-7(2)6-8(3)11-9/h1,6H,5H2,2-3H3 |
| InChIKey | CZAVWRGGILXCJO-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C9H10N2S |
| Exact Mass | 178.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7FiRMyaK7b |
|---|---|
| Name | 4,6-Dimethyl-2-(2-propynylsulfanyl)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.056469504 u |
| Formula | C9H10N2S |
| InChI | InChI=1S/C9H10N2S/c1-4-5-12-9-10-7(2)6-8(3)11-9/h1,6H,5H2,2-3H3 |
| InChIKey | CZAVWRGGILXCJO-UHFFFAOYSA-N |
| Molecular Weight | 178.253 g/mol |
| SMILES | C1(=NC(C)=CC(=N1)C)SCC#C |