| SpectraBase Spectrum ID |
F0aaLoMP7L7 |
| Name |
4-(2-Phenyl-1,1,3-trioxo-2,3-dihydro-1H-isothiazol-4-yl)-pentanoic acid |
| Alternate Name(s) |
4-(1,1-dioxido-3-oxo-2-phenyl-2,3-dihydroisothiazol-4-yl)pentanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15NO5S |
| InChI |
InChI=1S/C14H15NO5S/c1-10(7-8-13(16)17)12-9-21(19,20)15(14(12)18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,16,17) |
| InChIKey |
FBIAFTKQRYXYLX-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002_1521-3897(200009)342_7_675 |
| Molecular Weight |
309.336 g/mol |
| SMILES |
OC(CCC(C1=CS(N(C1=O)c1ccccc1)(=O)=O)C)=O |
| SPLASH |
splash10-0kvx-9622000000-30d7ef99e6e3e5b86b32 |
| Source of Spectrum |
JF-342-680-18a |
| Wiley ID |
1767070 |
