| SpectraBase Spectrum ID |
JrAJ9KTovmb |
| Name |
Methyl 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. |
| Formula |
C15H20N2O3S |
| InChI |
InChI=1S/C15H20N2O3S/c1-20-15(18)11-13-12-7-3-4-8-14(12)21(19,16-13)17-9-5-2-6-10-17/h3-4,7-8,13H,2,5-6,9-11H2,1H3 |
| InChIKey |
PQCDQNOKHQYKQK-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
308.396 g/mol |
| Quality |
158 |
| Reported Formula |
C15H20N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCCCC1)=O)CC(OC)=O |
| SPLASH |
splash10-053r-9420000000-8e619c9eda87afe2e05c |
| Sample Comments |
dr = 3:2 |
| Source of Spectrum |
QE-25-SM15-3ab (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891440 |
![Methyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/JrAJ9KTovmb/structure.png?h=300&w=458 "Methyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
