![2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-fluorophenyl)acetamide](/api/spectrum/E06mXyeUkKG/structure.png?h=300&w=458 "2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-fluorophenyl)acetamide")
| SpectraBase Compound ID | GN1d2cDSBBK |
|---|---|
| InChI | InChI=1S/C14H14FN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,18,19) |
| InChIKey | RXCXEFUORWTQIM-UHFFFAOYSA-N |
| Mol Weight | 291.34 g/mol |
| Molecular Formula | C14H14FN3OS |
| Exact Mass | 291.084161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E06mXyeUkKG |
|---|---|
| Name | 2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-fluorophenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.084161419 u |
| Formula | C14H14FN3OS |
| InChI | InChI=1S/C14H14FN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,18,19) |
| InChIKey | RXCXEFUORWTQIM-UHFFFAOYSA-N |
| Molecular Weight | 291.344 g/mol |
| SMILES | N(C(CSC1=NC(C)=CC(=N1)C)=O)C1=C(F)C=CC=C1 |