| SpectraBase Spectrum ID |
5IL4StX1J5F |
| Name |
1-(2-Cyanophenyl)-4-(4-methylphenyl)-2-methylthiopyrimidinium Iodide |
| Alternate Name(s) |
1-(2-cyanophenyl)-4-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-1-ium iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16IN3S |
| InChI |
InChI=1S/C19H16N3S.HI/c1-14-7-9-15(10-8-14)17-11-12-22(19(21-17)23-2)18-6-4-3-5-16(18)13-20;/h3-12H,1-2H3;1H/q+1;/p-1 |
| InChIKey |
UCOGDHXKZQPPAF-UHFFFAOYSA-M |
| Molecular Weight |
445.322 g/mol |
| SMILES |
[I-].c1([n+](ccc(n1)-c1ccc(C)cc1)-c1c(C#N)cccc1)SC |
| SPLASH |
splash10-0udi-0915000000-aef61a52af29d4e0c0d5 |
| Source of Spectrum |
Y-27-1443-4 |
| Wiley ID |
1386297 |
