| SpectraBase Spectrum ID |
AEgDUgukadP |
| Name |
2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetamide N-Oxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21ClN2O3S |
| InChI |
InChI=1S/C15H21ClN2O3S/c1-18(20)7-6-14(11-2-4-13(16)5-3-11)12(8-18)9-22(21)10-15(17)19/h2-5,12,14H,6-10H2,1H3,(H2,17,19)/t12-,14-,18?,22?/m1/s1 |
| InChIKey |
GTXQHLJHKAVCQU-YGENVUBWSA-N |
| Ionization Type |
EI |
| Molecular Weight |
344.857 g/mol |
| Optical Rotation |
[a]D25 = +32.0 (c = 0.08, CH3OH) |
| Reported Formula |
C15H21ClN2O3S |
| SMILES |
NC(CS(=O)C[C@]1(C[N+](CC[C@@]1(c1ccc(cc1)Cl)[H])([O-])C)[H])=O |
| SPLASH |
splash10-00di-0790000000-645b946685de0d242dc1 |
| Source of Spectrum |
US8153657B2 |
| Thin-Layer Chromatography |
Rf = 0.46 (EtOAc/MeOH/Et3N, 8:1:1), 0.14 (EtOAc/MeOH/Et3N, 8:1:1) |
| Wiley ID |
1845226 |
![2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetamide N-Oxide](/api/spectrum/AEgDUgukadP/structure.png?h=300&w=458 "2-[(3R,4S)-4-(4-Chlorophenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-acetamide N-Oxide")
