| SpectraBase Compound ID | 4HNHcX1yJzQ |
|---|---|
| InChI | InChI=1S/C20H20N2OS/c1-15(2)23-19-13-18(17-11-7-4-8-12-17)21-20(22-19)24-14-16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3 |
| InChIKey | VRMIYBRVYHVZBU-UHFFFAOYSA-N |
| Mol Weight | 336.45 g/mol |
| Molecular Formula | C20H20N2OS |
| Exact Mass | 336.129634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdGKvelFEd1 |
|---|---|
| Name | 2-(Benzylthio)-4-isopropoxy-6-phenyl-pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.129634445 u |
| Formula | C20H20N2OS |
| InChI | InChI=1S/C20H20N2OS/c1-15(2)23-19-13-18(17-11-7-4-8-12-17)21-20(22-19)24-14-16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3 |
| InChIKey | VRMIYBRVYHVZBU-UHFFFAOYSA-N |
| Molecular Weight | 336.453 g/mol |
| SMILES | C=1(N=C(C=C(N1)C1=CC=CC=C1)OC(C)C)SCC=1C=CC=CC1 |