| SpectraBase Spectrum ID |
Kt7kUvPaOiH |
| Name |
4-(2-Phenyl-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl)-butanoic acid |
| Alternate Name(s) |
4-(1,1-dioxido-3-oxo-2-phenyl-2,3-dihydroisothiazol-4-yl)butanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO5S |
| InChI |
InChI=1S/C13H13NO5S/c15-12(16)8-4-5-10-9-20(18,19)14(13(10)17)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,15,16) |
| InChIKey |
JWUQFYOAISMLON-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002_1521-3897(200009)342_7_675 |
| Molecular Weight |
295.309 g/mol |
| SMILES |
OC(CCCC1=CS(N(C1=O)c1ccccc1)(=O)=O)=O |
| SPLASH |
splash10-0002-0290000000-2445c00ed948d979fe2d |
| Source of Spectrum |
JF-342-680-17a |
| Wiley ID |
1767069 |
