| SpectraBase Spectrum ID |
3Vi7bomwDo |
| Name |
Benzyl 2-[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. |
| Exact Mass |
384.150763812 u |
| Formula |
C21H24N2O3S |
| InChI |
InChI=1S/C21H24N2O3S/c24-21(26-16-17-9-3-1-4-10-17)15-19-18-11-5-6-12-20(18)27(25,22-19)23-13-7-2-8-14-23/h1,3-6,9-12,19H,2,7-8,13-16H2 |
| InChIKey |
BWPXZIIULYDZES-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
384.494 g/mol |
| Quality |
52 |
| Reported Formula |
C21H24N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCCCC1)=O)CC(OCC1=CC=CC=C1)=O |
| SPLASH |
splash10-000x-9000000000-bf27d983afa01e9a89d6 |
| Source of Spectrum |
QE-25-SM16-3ae (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891444 |
![Benzyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/3Vi7bomwDo/structure.png?h=300&w=458 "Benzyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
