| SpectraBase Spectrum ID |
JHXLeTaQEgr |
| Name |
Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.166413876 u |
| Formula |
C18H26N2O3S |
| InChI |
InChI=1S/C18H26N2O3S/c1-2-3-13-23-18(21)14-16-15-9-5-6-10-17(15)24(22,19-16)20-11-7-4-8-12-20/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3 |
| InChIKey |
ASPJOMBIUASSRR-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
350.477 g/mol |
| Quality |
63 |
| Reported Formula |
C18H26N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCCCC1)=O)CC(OCCCC)=O |
| SPLASH |
splash10-001i-9141000000-4c838af4faad4a7ed77b |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
QE-25-SM6-3aa (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891439 |
![Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/JHXLeTaQEgr/structure.png?h=300&w=458 "Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
