| SpectraBase Spectrum ID |
83VnjN30aOZ |
| Name |
Butyl 2-[6-methyl-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.182063941 u |
| Formula |
C19H28N2O3S |
| InChI |
InChI=1S/C19H28N2O3S/c1-3-4-12-24-19(22)14-17-16-9-8-15(2)13-18(16)25(23,20-17)21-10-6-5-7-11-21/h8-9,13,17H,3-7,10-12,14H2,1-2H3 |
| InChIKey |
MAEWCCWVIDSJKD-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
364.504 g/mol |
| Quality |
60 |
| Reported Formula |
C19H28N2O3S |
| SMILES |
C1(=CC2=C(C=C1)C(N=S2(N1CCCCC1)=O)CC(OCCCC)=O)C |
| SPLASH |
splash10-001i-9161000000-71b38802aa4ed151ddec |
| Sample Comments |
dr = 5:4 |
| Source of Spectrum |
QE-25-SM7-3ca (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891446 |
![Butyl 2-[6-methyl-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/83VnjN30aOZ/structure.png?h=300&w=458 "Butyl 2-[6-methyl-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
