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Acetamide, N-[2-(4-chlorophenyl)ethyl]-2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-
SpectraBase Compound ID AGYEptZ5AMk
InChI InChI=1S/C21H21ClN4OS/c22-17-3-1-14(2-4-17)5-8-24-19(27)13-28-21-16(12-23)11-18-20(25-21)15-6-9-26(18)10-7-15/h1-4,11,15H,5-10,13H2,(H,24,27)
InChIKey NBJUPOLXQGMMLJ-UHFFFAOYSA-N
Mol Weight 412.94 g/mol
Molecular Formula C21H21ClN4OS
Exact Mass 412.11246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hIAfJ1ekhY
Name Acetamide, N-[2-(4-chlorophenyl)ethyl]-2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-
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Formula C21H21ClN4OS
InChI InChI=1S/C21H21ClN4OS/c22-17-3-1-14(2-4-17)5-8-24-19(27)13-28-21-16(12-23)11-18-20(25-21)15-6-9-26(18)10-7-15/h1-4,11,15H,5-10,13H2,(H,24,27)
InChIKey NBJUPOLXQGMMLJ-UHFFFAOYSA-N
Molecular Weight 412.939 g/mol
SMILES N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)CCc1ccc(cc1)Cl
SPLASH splash10-053r-5690000000-57692ca0598aada1a31d
Source of Spectrum IY-1-4591-9
Wiley ID 1653902