| SpectraBase Spectrum ID |
KGGA8dSXxBc |
| Name |
(Z)-Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-ylidene]acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.150763812 u |
| Formula |
C18H24N2O3S |
| InChI |
InChI=1S/C18H24N2O3S/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/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3/b16-14- |
| InChIKey |
GXJNUJVBAZBMFM-PEZBUJJGSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900920 |
| Molecular Weight |
348.461 g/mol |
| Quality |
217 |
| Reported Formula |
C18H24N2O3S |
| SMILES |
C1=CC2=C(C=C1)\C(N=S2(N1CCCCC1)=O)=C\C(OCCCC)=O |
| SPLASH |
splash10-000t-9451000000-20d08296e903c0aec9a0 |
| Sample Comments |
Diastereomer B |
| Source of Spectrum |
QE-25-SM17-4 (DOI: 10.1002/chem.201900920) |
| Wiley ID |
1891465 |
![(Z)-Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-ylidene]acetate](/api/spectrum/KGGA8dSXxBc/structure.png?h=300&w=458 "(Z)-Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-ylidene]acetate")
