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1-[5-(2-Chloro-phenyl)-2-thioxo-[1,3,4]oxadiazol-3-ylmethyl]-piperidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID BPRXuK28nan
InChI InChI=1S/C17H20ClN3O3S/c1-2-23-16(22)12-7-9-20(10-8-12)11-21-17(25)24-15(19-21)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3
InChIKey DHWXDUZMVCCQEE-UHFFFAOYSA-N
Mol Weight 381.88 g/mol
Molecular Formula C17H20ClN3O3S
Exact Mass 381.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8QQLJoEITY
Name 1-[5-(2-Chloro-phenyl)-2-thioxo-[1,3,4]oxadiazol-3-ylmethyl]-piperidine-4-carboxylic acid ethyl ester
Alternate Name(s) 1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester 1-[[5-(2-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]isonipecotic acid ethyl ester Ethyl 1-[[5-(2-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate Ethyl 1-[[5-(2-chlorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate
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Formula C17H20ClN3O3S
InChI InChI=1S/C17H20ClN3O3S/c1-2-23-16(22)12-7-9-20(10-8-12)11-21-17(25)24-15(19-21)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3
InChIKey DHWXDUZMVCCQEE-UHFFFAOYSA-N
Molecular Weight 381.878 g/mol
SMILES c1ccc(C2=NN(C(O2)=S)CN2CCC(C(=O)OCC)CC2)c(Cl)c1
SPLASH splash10-00di-8900000000-86913408afae05a2f1e7
Wiley ID 1466190