| SpectraBase Spectrum ID |
1dQd9mtV1A |
| Name |
1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-(4-methoxyphenyl)-, methyl ester, (.alpha.R*,.beta.S*)- |
| Alternate Name(s) |
methyl (2R,3S)-2-[(4-chlorophenyl)sulfinyl]-3-(4-methoxyphenyl)-3-(1-piperidinyl)propanoate
Methyl 2-(p-chlorophenylsulphinyl)-3-(4-methoxtphenyl)-3-piperidinopropanoate |
| CAS Registry Number |
111220-79-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26ClNO4S |
| InChI |
InChI=1S/C22H26ClNO4S/c1-27-18-10-6-16(7-11-18)20(24-14-4-3-5-15-24)21(22(25)28-2)29(26)19-12-8-17(23)9-13-19/h6-13,20-21H,3-5,14-15H2,1-2H3/t20-,21+,29?/m0/s1 |
| InChIKey |
MDISVMWFRXTONH-CLPQNXSUSA-N |
| Molecular Weight |
435.966 g/mol |
| SMILES |
[C@](S(c1ccc(cc1)Cl)=O)([C@@](N1CCCCC1)(c1ccc(cc1)OC)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-0006-0900000000-57a9b09bd9511c6a1c02 |
| Source of Spectrum |
KC-1987-829-8 |
| Wiley ID |
1383227 |
![1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-(4-methoxyphenyl)-, methyl ester, (.alpha.R*,.beta.S*)-](/api/spectrum/1dQd9mtV1A/structure.png?h=300&w=458 "1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-(4-methoxyphenyl)-, methyl ester, (.alpha.R*,.beta.S*)-")
