| SpectraBase Spectrum ID |
5ge1uUhp0j6 |
| Name |
Butyl 2-[9-chloro-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,3-d]isothiazol-3-yl]-acetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.143091608 u |
| Formula |
C22H27ClN2O3S |
| InChI |
InChI=1S/C22H27ClN2O3S/c1-2-3-13-28-20(26)15-19-18-14-16-9-5-6-10-17(16)21(23)22(18)29(27,24-19)25-11-7-4-8-12-25/h5-6,9-10,14,19H,2-4,7-8,11-13,15H2,1H3 |
| InChIKey |
LIBYYCYYHRBCGX-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
434.982 g/mol |
| Quality |
49 |
| Reported Formula |
C22H27ClN2O3S |
| SMILES |
C12=C(C3=C(C=C2C=CC=C1)C(N=S3(N1CCCCC1)=O)CC(OCCCC)=O)Cl |
| SPLASH |
splash10-001i-9001000000-d0403f5f0063a008fcb1 |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
QE-25-SM11-3na (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891457 |
![Butyl 2-[9-chloro-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,3-d]isothiazol-3-yl]-acetate](/api/spectrum/5ge1uUhp0j6/structure.png?h=300&w=458 "Butyl 2-[9-chloro-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,3-d]isothiazol-3-yl]-acetate")
