![[(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid](/api/spectrum/79wLVqXoALg/structure.png?h=300&w=458 "[(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid")
| SpectraBase Compound ID | bUBE43Ti6M |
|---|---|
| InChI | InChI=1S/C18H14N2O2S/c21-17(22)12-23-18-19-15(13-7-3-1-4-8-13)11-16(20-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22) |
| InChIKey | HNDJKKMMGOVARH-UHFFFAOYSA-N |
| Mol Weight | 322.38 g/mol |
| Molecular Formula | C18H14N2O2S |
| Exact Mass | 322.077599 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 | 79wLVqXoALg |
|---|---|
| Name | [(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.077598871 u |
| Formula | C18H14N2O2S |
| InChI | InChI=1S/C18H14N2O2S/c21-17(22)12-23-18-19-15(13-7-3-1-4-8-13)11-16(20-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22) |
| InChIKey | HNDJKKMMGOVARH-UHFFFAOYSA-N |
| Molecular Weight | 322.382 g/mol |
| SMILES | C1(SCC(O)=O)=NC(C2=CC=CC=C2)=CC(=N1)C1=CC=CC=C1 |