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(1-Benzyl-2-phenyl-6-thioxo-piperidin-4-yl)thioacetic acid, ethyl ester
SpectraBase Compound ID 5OgeJOQBQ9z
InChI InChI=1S/C22H25NO2S2/c1-2-25-22(24)16-27-19-13-20(18-11-7-4-8-12-18)23(21(26)14-19)15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3
InChIKey JYDJKLDBGCRYDA-UHFFFAOYSA-N
Mol Weight 399.57 g/mol
Molecular Formula C22H25NO2S2
Exact Mass 399.132671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rVSy9FmQmQ
Name (1-Benzyl-2-phenyl-6-thioxo-piperidin-4-yl)thioacetic acid, ethyl ester
Alternate Name(s) 2-[(1-benzyl-2-phenyl-6-thioxo-4-piperidyl)thio]acetic acid ethyl ester 2-[[2-phenyl-1-(phenylmethyl)-6-sulfanylidene-4-piperidinyl]thio]acetic acid ethyl ester Ethyl 2-(1-benzyl-2-phenyl-6-sulfanylidenepiperidin-4-yl)sulfanylacetate Ethyl 2-[(1-benzyl-2-phenyl-6-thioxo-4-piperidyl)sulfanyl]acetate Ethyl 2-[2-phenyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylethanoate
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Formula C22H25NO2S2
InChI InChI=1S/C22H25NO2S2/c1-2-25-22(24)16-27-19-13-20(18-11-7-4-8-12-18)23(21(26)14-19)15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3
InChIKey JYDJKLDBGCRYDA-UHFFFAOYSA-N
Molecular Weight 399.567 g/mol
SMILES C1(N(C(CC(C1)SCC(=O)OCC)c1ccccc1)Cc1ccccc1)=S
SPLASH splash10-0006-9610000000-7356aab9014a73296400
Source of Spectrum Y-34-647-5
Wiley ID 1368965