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2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperidinecarbodithioate

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2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperidinecarbodithioate
SpectraBase Compound ID 7dp1oLs7rUY
InChI InChI=1S/C22H23ClN2O2S2/c1-15-9-11-25(12-10-15)22(28)29-14-20(26)24-19-8-7-17(23)13-18(19)21(27)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)
InChIKey JNYRBHIFDXSORD-UHFFFAOYSA-N
Mol Weight 447.01 g/mol
Molecular Formula C22H23ClN2O2S2
Exact Mass 446.088948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGgNrylXZCq
Name 2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 4-methyl-1-piperidinecarbodithioate
Comments Computed using HOSE algorithm
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Exact Mass 446.088948035 u
Formula C22H23ClN2O2S2
InChI InChI=1S/C22H23ClN2O2S2/c1-15-9-11-25(12-10-15)22(28)29-14-20(26)24-19-8-7-17(23)13-18(19)21(27)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)
InChIKey JNYRBHIFDXSORD-UHFFFAOYSA-N
Molecular Weight 447.011 g/mol
SMILES N(C1=C(C(=O)C2=CC=CC=C2)C=C(C=C1)Cl)C(=O)CSC(N1CCC(CC1)C)=S