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methyl 2-(p-chlorophenylsulphinyl)-3-phenyl-3-piperidinopropanoate
SpectraBase Compound ID DxZU3GxeKI4
InChI InChI=1S/C21H24ClNO3S/c1-26-21(24)20(27(25)18-12-10-17(22)11-13-18)19(16-8-4-2-5-9-16)23-14-6-3-7-15-23/h2,4-5,8-13,19-20H,3,6-7,14-15H2,1H3
InChIKey AWYKYEOSCYRIDR-UHFFFAOYSA-N
Mol Weight 405.94 g/mol
Molecular Formula C21H24ClNO3S
Exact Mass 405.116543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WPfKiuBqgx
Name methyl 2-(p-chlorophenylsulphinyl)-3-phenyl-3-piperidinopropanoate
CAS Registry Number 102714-55-6
Comments Less than 3 mono-isotopic peaks
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Formula C21H24ClNO3S
InChI InChI=1S/C21H24ClNO3S/c1-26-21(24)20(27(25)18-12-10-17(22)11-13-18)19(16-8-4-2-5-9-16)23-14-6-3-7-15-23/h2,4-5,8-13,19-20H,3,6-7,14-15H2,1H3
InChIKey AWYKYEOSCYRIDR-UHFFFAOYSA-N
Molecular Weight 405.940 g/mol
SMILES C(S(c1ccc(cc1)Cl)=O)(C(N1CCCCC1)c1ccccc1)C(=O)OC
SPLASH splash10-03di-0900000000-e0728a34482beb3f978a
Source of Spectrum KC-1987-829-8
Synonyms methyl 2-[(4-chlorophenyl)sulfinyl]-3-phenyl-3-(1-piperidinyl)propanoate
Wiley ID 1371719