| SpectraBase Spectrum ID |
CrviumxME3 |
| Name |
1-Pyrrolidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-phenyl-, methyl ester, (.alpha.R*,.beta.R*)- |
| Alternate Name(s) |
methyl (2R,3R)-2-[(4-chlorophenyl)sulfinyl]-3-phenyl-3-(1-pyrrolidinyl)propanoate
Methyl 2-(p-chlorophenylsulphinyl)-3-phenyl-3-pyrrolidinopropanoate |
| CAS Registry Number |
102714-49-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22ClNO3S |
| InChI |
InChI=1S/C20H22ClNO3S/c1-25-20(23)19(26(24)17-11-9-16(21)10-12-17)18(22-13-5-6-14-22)15-7-3-2-4-8-15/h2-4,7-12,18-19H,5-6,13-14H2,1H3/t18-,19-,26?/m1/s1 |
| InChIKey |
XZEYRXWCLNSCRL-KWRYHXHMSA-N |
| Molecular Weight |
391.913 g/mol |
| SMILES |
[C@](S(c1ccc(cc1)Cl)=O)([C@](N1CCCC1)(c1ccccc1)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-03di-0900000000-3ae064657fe550b6d86e |
| Source of Spectrum |
KC-1987-829-8 |
| Wiley ID |
1365313 |
![1-Pyrrolidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-phenyl-, methyl ester, (.alpha.R*,.beta.R*)-](/api/spectrum/CrviumxME3/structure.png?h=300&w=458 "1-Pyrrolidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-.beta.-phenyl-, methyl ester, (.alpha.R*,.beta.R*)-")
