| SpectraBase Spectrum ID |
APd45ZADjig |
| Name |
1,3-Dimethyl-4H-thieno[3,4-c]pyrrolium toluene-p-sulfonate |
| Alternate Name(s) |
1,3-dimethyl-4H-thieno[3,4-c]pyrrol-5-ium 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17NO3S2 |
| InChI |
InChI=1S/C8H9NS.C7H8O3S/c1-5-7-3-9-4-8(7)6(2)10-5;1-6-2-4-7(5-3-6)11(8,9)10/h3H,4H2,1-2H3;2-5H,1H3,(H,8,9,10) |
| InChIKey |
JKUHRYYOUMBWJE-UHFFFAOYSA-N |
| Molecular Weight |
323.425 g/mol |
| SMILES |
[NH+]=1Cc2c(C1)c(sc2C)C.c1(S([O-])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0udi-0900000000-3f4973ae5c60f20e8cca |
| Source of Spectrum |
KC-0-3069-11 |
| Wiley ID |
782541 |
![1,3-Dimethyl-4H-thieno[3,4-c]pyrrolium toluene-p-sulfonate](/api/spectrum/APd45ZADjig/structure.png?h=300&w=458 "1,3-Dimethyl-4H-thieno[3,4-c]pyrrolium toluene-p-sulfonate")
