| SpectraBase Spectrum ID |
5p6YiQwEo8a |
| Name |
Butyl 2-[1-oxido-1-(pyrrolidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.150763812 u |
| Formula |
C17H24N2O3S |
| InChI |
InChI=1S/C17H24N2O3S/c1-2-3-12-22-17(20)13-15-14-8-4-5-9-16(14)23(21,18-15)19-10-6-7-11-19/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3 |
| InChIKey |
JZFZHAOGLJOMHX-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
336.450 g/mol |
| Quality |
138 |
| Reported Formula |
C17H24N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCCC1)=O)CC(OCCCC)=O |
| SPLASH |
splash10-0g4i-3290000000-75d6c1fa9155f37eae24 |
| Sample Comments |
Diastereomer A, dr = 3:2 |
| Source of Spectrum |
QE-25-SM12-3sa (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891460 |
![Butyl 2-[1-oxido-1-(pyrrolidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/5p6YiQwEo8a/structure.png?h=300&w=458 "Butyl 2-[1-oxido-1-(pyrrolidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
