| SpectraBase Spectrum ID |
IZ2NMKW1EgM |
| Name |
S-[3-(4-Methylphenyl)-1-methylthio-3-oxopropenyl]-S,S-dimethylsulfinylinium perchlorate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17ClO5S2 |
| InChI |
InChI=1S/C13H17OS2.ClHO4/c1-10-5-7-11(8-6-10)12(14)9-13(15-2)16(3)4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)/q+1;/p-1/b13-9+; |
| InChIKey |
QPXWLLFCFHHCTN-KJEVSKRMSA-M |
| Molecular Weight |
352.847 g/mol |
| SMILES |
C[S+](\C(=C\C(c1ccc(cc1)C)=O)SC)C.[Cl]([O-])(=O)(=O)=O |
| SPLASH |
splash10-014l-6900000000-de3a5b6a7dcd5a0d2287 |
| Source of Spectrum |
SO-0-208-5 |
| Wiley ID |
1537665 |
![S-[3-(4-Methylphenyl)-1-methylthio-3-oxopropenyl]-S,S-dimethylsulfinylinium perchlorate](/api/spectrum/IZ2NMKW1EgM/structure.png?h=300&w=458 "S-[3-(4-Methylphenyl)-1-methylthio-3-oxopropenyl]-S,S-dimethylsulfinylinium perchlorate")
