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

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2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 2-methyl-1-piperidinecarbodithioate
SpectraBase Compound ID 6asoAk1ZeOA
InChI InChI=1S/C22H23ClN2O2S2/c1-15-7-5-6-12-25(15)22(28)29-14-20(26)24-19-11-10-17(23)13-18(19)21(27)16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14H2,1H3,(H,24,26)
InChIKey DBFKRACRFPSERW-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 Bt25Fhz3NqG
Name 2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl 2-methyl-1-piperidinecarbodithioate
Comments Computed using HOSE algorithm
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Exact Mass 446.088948035 u
Formula C22H23ClN2O2S2
InChI InChI=1S/C22H23ClN2O2S2/c1-15-7-5-6-12-25(15)22(28)29-14-20(26)24-19-11-10-17(23)13-18(19)21(27)16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14H2,1H3,(H,24,26)
InChIKey DBFKRACRFPSERW-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(N1C(C)CCCC1)=S