| SpectraBase Spectrum ID |
254DJR3Wv6Y |
| Name |
Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,1-d]isothiazol-3-yl]acetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.182063941 u |
| Formula |
C22H28N2O3S |
| InChI |
InChI=1S/C22H28N2O3S/c1-2-3-15-27-21(25)16-20-19-12-11-17-9-5-6-10-18(17)22(19)28(26,23-20)24-13-7-4-8-14-24/h5-6,9-12,20H,2-4,7-8,13-16H2,1H3 |
| InChIKey |
KFEOSQCORWCPHI-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
400.537 g/mol |
| Quality |
112 |
| Reported Formula |
C22H28N2O3S |
| SMILES |
C12=C(C3=C(C=C2)C(N=S3(N2CCCCC2)=O)CC(OCCCC)=O)C=CC=C1 |
| SPLASH |
splash10-0a59-9200000000-cdd1b4e0cae26e7833bb |
| Sample Comments |
dr = 2:1 |
| Source of Spectrum |
QE-25-SM11-3ma (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891456 |
![Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,1-d]isothiazol-3-yl]acetate](/api/spectrum/254DJR3Wv6Y/structure.png?h=300&w=458 "Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-naphtho[2,1-d]isothiazol-3-yl]acetate")
