| SpectraBase Spectrum ID |
U9HCop4aCA |
| Name |
3-Benzoylmethyl-2-methylthio-6-(4-methylphenyl)pyrimidinium Iodide |
| Alternate Name(s) |
4-(4-Methylphenyl)-2-(methylsulfanyl)-1-(2-oxo-2-phenylethyl)pyrimidin-1-ium iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19IN2OS |
| InChI |
InChI=1S/C20H19N2OS.HI/c1-15-8-10-16(11-9-15)18-12-13-22(20(21-18)24-2)14-19(23)17-6-4-3-5-7-17;/h3-13H,14H2,1-2H3;1H/q+1;/p-1 |
| InChIKey |
VXFFGKUGDSPOTD-UHFFFAOYSA-M |
| Molecular Weight |
462.349 g/mol |
| SMILES |
[I-].c1([n+](ccc(n1)-c1ccc(C)cc1)CC(=O)c1ccccc1)SC |
| SPLASH |
splash10-002f-0910000000-629dbd8a10afd5f84c60 |
| Source of Spectrum |
SO-0-817-9 |
| Wiley ID |
1540200 |
