| SpectraBase Spectrum ID |
9sO3bTmNq7y |
| Name |
Butyl 2-[1-(4-methylpiperidin-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.182063941 u |
| Formula |
C19H28N2O3S |
| InChI |
InChI=1S/C19H28N2O3S/c1-3-4-13-24-19(22)14-17-16-7-5-6-8-18(16)25(23,20-17)21-11-9-15(2)10-12-21/h5-8,15,17H,3-4,9-14H2,1-2H3 |
| InChIKey |
RPYZMINCAIKHJD-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
364.504 g/mol |
| Quality |
90 |
| Reported Formula |
C19H28N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCC(CC1)C)=O)CC(OCCCC)=O |
| SPLASH |
splash10-0002-9042000000-ca0047584d0fa81a3491 |
| Sample Comments |
dr = 5:4 |
| Source of Spectrum |
QE-25-SM14-3va (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891463 |
![Butyl 2-[1-(4-methylpiperidin-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/9sO3bTmNq7y/structure.png?h=300&w=458 "Butyl 2-[1-(4-methylpiperidin-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
