| SpectraBase Compound ID | LQBNjEFkNa5 |
|---|---|
| InChI | InChI=1S/C17H12F2N2O2S/c1-24-17-20-15(22-13-6-2-11(18)3-7-13)10-16(21-17)23-14-8-4-12(19)5-9-14/h2-10H,1H3 |
| InChIKey | ZFLBDNTZUSIRRM-UHFFFAOYSA-N |
| Mol Weight | 346.35 g/mol |
| Molecular Formula | C17H12F2N2O2S |
| Exact Mass | 346.058755 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 | JxvrcC7eshz |
|---|---|
| Name | 2-Methylthio-4,6-bis-(4-fluorophenoxy)-pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.058755132 u |
| Formula | C17H12F2N2O2S |
| InChI | InChI=1S/C17H12F2N2O2S/c1-24-17-20-15(22-13-6-2-11(18)3-7-13)10-16(21-17)23-14-8-4-12(19)5-9-14/h2-10H,1H3 |
| InChIKey | ZFLBDNTZUSIRRM-UHFFFAOYSA-N |
| Molecular Weight | 346.352 g/mol |
| SMILES | C=1(N=C(N=C(C1)OC1=CC=C(F)C=C1)SC)OC1=CC=C(F)C=C1 |