| SpectraBase Spectrum ID |
CY5PRMc71Gk |
| Name |
Butyl 2-[1-(azepane-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.182063941 u |
| Formula |
C19H28N2O3S |
| InChI |
InChI=1S/C19H28N2O3S/c1-2-3-14-24-19(22)15-17-16-10-6-7-11-18(16)25(23,20-17)21-12-8-4-5-9-13-21/h6-7,10-11,17H,2-5,8-9,12-15H2,1H3 |
| InChIKey |
LTXSIBREUZPUCZ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
364.504 g/mol |
| Reported Formula |
C19H28N2O3S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCCCCC1)=O)CC(OCCCC)=O |
| SPLASH |
splash10-0002-9040000000-f88cdc88c0464c7bbb25 |
| Sample Comments |
dr = 4:3 |
| Source of Spectrum |
QE-25-SM13-3ta (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891461 |
![Butyl 2-[1-(azepane-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate](/api/spectrum/CY5PRMc71Gk/structure.png?h=300&w=458 "Butyl 2-[1-(azepane-1-yl)-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate")
