| SpectraBase Spectrum ID |
7a2ob2gARw8 |
| Name |
6-Methyl-7-methylthio-5H-dibenz[c,e]azepinium trifluoromethanesulphonate |
| CAS Registry Number |
134080-08-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16F3NO3S2 |
| InChI |
InChI=1S/C16H16NS.CHF3O3S/c1-17-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16(17)18-2;2-1(3,4)8(5,6)7/h3-10H,11H2,1-2H3;(H,5,6,7)/q+1;/p-1 |
| InChIKey |
NADDFZWVXOQSSP-UHFFFAOYSA-M |
| Molecular Weight |
403.434 g/mol |
| SMILES |
C(S([O-])(=O)=O)(F)(F)F.C1(=[N+](Cc2c(-c3c1cccc3)cccc2)C)SC |
| SPLASH |
splash10-0550-0690000000-8b0a2eeb9a972a5587c5 |
| Source of Spectrum |
K-124-2090-12 |
| Synonyms |
6-Methyl-7-(methylsulfanyl)-5H-dibenzo[c,e]azepinium trifluoromethanesulfonate |
| Wiley ID |
1370792 |
![6-Methyl-7-methylthio-5H-dibenz[c,e]azepinium trifluoromethanesulphonate](/api/spectrum/7a2ob2gARw8/structure.png?h=300&w=458 "6-Methyl-7-methylthio-5H-dibenz[c,e]azepinium trifluoromethanesulphonate")
