| SpectraBase Spectrum ID |
Fc2zXkVZ5Rd |
| Name |
1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-3-methyl-.beta.-phenyl-, methyl ester |
| CAS Registry Number |
111220-77-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26ClNO3S |
| InChI |
InChI=1S/C22H26ClNO3S/c1-16-7-6-14-24(15-16)20(17-8-4-3-5-9-17)21(22(25)27-2)28(26)19-12-10-18(23)11-13-19/h3-5,8-13,16,20-21H,6-7,14-15H2,1-2H3 |
| InChIKey |
XMGVSMGJVSCWFG-UHFFFAOYSA-N |
| Molecular Weight |
419.967 g/mol |
| SMILES |
C(S(c1ccc(cc1)Cl)=O)(C(N1CC(C)CCC1)c1ccccc1)C(=O)OC |
| SPLASH |
splash10-03di-0900000000-db645229add3fc9f97c9 |
| Source of Spectrum |
KC-1987-829-8 |
| Synonyms |
Methyl 2-(p-chlorophenylsulphinyl)-3-(3-methylpiperidino)-3-phenylpropanoate
methyl 2-[(4-chlorophenyl)sulfinyl]-3-(3-methyl-1-piperidinyl)-3-phenylpropanoate |
| Wiley ID |
1377587 |
![1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-3-methyl-.beta.-phenyl-, methyl ester](/api/spectrum/Fc2zXkVZ5Rd/structure.png?h=300&w=458 "1-Piperidinepropanoic acid, .alpha.-[(4-chlorophenyl)sulfinyl]-3-methyl-.beta.-phenyl-, methyl ester")
