![[(4-Methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid](/api/spectrum/3h3MDn7BeS5/structure.png?h=300&w=458 "[(4-Methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid")
| SpectraBase Compound ID | GgjzccVDcT6 |
|---|---|
| InChI | InChI=1S/C13H12N2O2S/c1-9-7-11(10-5-3-2-4-6-10)15-13(14-9)18-8-12(16)17/h2-7H,8H2,1H3,(H,16,17) |
| InChIKey | PKESAJRXMWMCKZ-UHFFFAOYSA-N |
| Mol Weight | 260.31 g/mol |
| Molecular Formula | C13H12N2O2S |
| Exact Mass | 260.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3h3MDn7BeS5 |
|---|---|
| Name | [(4-Methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.061948806 u |
| Formula | C13H12N2O2S |
| InChI | InChI=1S/C13H12N2O2S/c1-9-7-11(10-5-3-2-4-6-10)15-13(14-9)18-8-12(16)17/h2-7H,8H2,1H3,(H,16,17) |
| InChIKey | PKESAJRXMWMCKZ-UHFFFAOYSA-N |
| SMILES | C1(=NC(=CC(=N1)C1=CC=CC=C1)C)SCC(O)=O |