| SpectraBase Spectrum ID |
J7T7zQ7wIfT |
| Name |
2-(2-Benzylethyl)-3-trifluoromethyl-3-hydroxy-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide |
| Comments |
Note: The molecular formula of the structure shown is C17H16F3NO3S - which differs from the formula reported for the mass spectrum (C16H14F3NO3S) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14F3NO3S |
| InChI |
InChI=1S/C17H16F3NO3S/c18-17(19,20)16(22)14-10-4-5-11-15(14)25(23,24)21(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,22H,6,9,12H2 |
| InChIKey |
SLPYDSBPZFVZKQ-UHFFFAOYSA-N |
| Molecular Weight |
371.374 g/mol |
| SMILES |
OC1(c2c(S(N1CCCc1ccccc1)(=O)=O)cccc2)C(F)(F)F |
| SPLASH |
splash10-00kr-0190000000-e22d57eca97b21462f81 |
| Source of Spectrum |
H1-48-1646-4 |
| Wiley ID |
816512 |
