| SpectraBase Spectrum ID |
Bi8aNvn4qvx |
| Name |
Butyl 2-(1-morpholino-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl)acetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.145678431 u |
| Formula |
C17H24N2O4S |
| InChI |
InChI=1S/C17H24N2O4S/c1-2-3-10-23-17(20)13-15-14-6-4-5-7-16(14)24(21,18-15)19-8-11-22-12-9-19/h4-7,15H,2-3,8-13H2,1H3 |
| InChIKey |
CYUODRDLKCRZJV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
352.449 g/mol |
| Quality |
295 |
| Reported Formula |
C17H24N2O4S |
| SMILES |
C1=CC2=C(C=C1)C(N=S2(N1CCOCC1)=O)CC(OCCCC)=O |
| SPLASH |
splash10-0ldr-6690000000-db9b9d738e8827d0792a |
| Sample Comments |
dr = 3:2 |
| Source of Spectrum |
QE-25-SM13-3ua (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891462 |
![Butyl 2-(1-morpholino-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl)acetate](/api/spectrum/Bi8aNvn4qvx/structure.png?h=300&w=458 "Butyl 2-(1-morpholino-1-oxido-3H-1.lambda.4-benzo[d]isothiazol-3-yl)acetate")
