| SpectraBase Spectrum ID |
1DSp7h6aJHv |
| Name |
3H-1.lambda.4-Benzo[b]thiophene-2-carboxylic acid, 3-oxo-1-phenyl-, 1-oxide |
| CAS Registry Number |
131327-66-7 |
| Comments |
Note: The molecular formula of the structure shown is C15H12O4S - which differs from the formula reported for the mass spectrum (C15H10O4S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H10O4S |
| InChI |
InChI=1S/C15H10O4S/c16-13-11-8-4-5-9-12(11)20(19,14(13)15(17)18)10-6-2-1-3-7-10/h1-9,14H |
| InChIKey |
LALYAWGKOGYGHH-UHFFFAOYSA-N |
| Molecular Weight |
286.301 g/mol |
| SMILES |
C1([S+](c2c(C1=O)cccc2)(=O)c1ccccc1)C([O-])=O |
| SPLASH |
splash10-000l-4930000000-1ce73775c681b25ffe48 |
| Source of Spectrum |
F-46-6543-20 |
| Synonyms |
1,3-Dioxo-1-phenyl-2,3-dihydro-1H-1-benzothiophen-1-ylium-2-carboxylate
2,3-Dihydro-3-oxo-1-phenylbenzo[b]thiophene-1-oxide-2-carboxylic acid,inner salt |
| Wiley ID |
1289605 |
![3H-1.lambda.4-Benzo[b]thiophene-2-carboxylic acid, 3-oxo-1-phenyl-, 1-oxide](/api/spectrum/1DSp7h6aJHv/structure.png?h=300&w=458 "3H-1.lambda.4-Benzo[b]thiophene-2-carboxylic acid, 3-oxo-1-phenyl-, 1-oxide")
