| SpectraBase Spectrum ID |
B3jw595gSoQ |
| Name |
Butyl 2-[5-bromo-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25BrN2O3S |
| InChI |
InChI=1S/C18H25BrN2O3S/c1-2-3-11-24-18(22)13-16-15-12-14(19)7-8-17(15)25(23,20-16)21-9-5-4-6-10-21/h7-8,12,16H,2-6,9-11,13H2,1H3 |
| InChIKey |
GIQMEXIWELZHOD-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
429.373 g/mol |
| Quality |
104 |
| Reported Formula |
C18H25BrN2O3S |
| SMILES |
C1=CC2=C(C=C1Br)C(N=S2(N1CCCCC1)=O)CC(OCCCC)=O |
| SPLASH |
splash10-001i-9038400000-5baff2488f07680ec0a4 |
| Sample Comments |
dr = 3:1 |
| Source of Spectrum |
QE-25-SM10-3la (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891455 |
![Butyl 2-[5-bromo-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/B3jw595gSoQ/structure.png?h=300&w=458 "Butyl 2-[5-bromo-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
