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(3-butyl-2,4-dioxo-1-phenyl-3-quinolyl) thiocyanate
SpectraBase Compound ID 5OVrmRv0nql
InChI InChI=1S/C20H18N2O2S/c1-2-3-13-20(25-14-21)18(23)16-11-7-8-12-17(16)22(19(20)24)15-9-5-4-6-10-15/h4-12H,2-3,13H2,1H3
InChIKey WEFKRJMXKBXBHL-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C20H18N2O2S
Exact Mass 350.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PEWta2599w
Name (3-butyl-2,4-dioxo-1-phenyl-3-quinolyl) thiocyanate
Alternate Name(s) (3-butyl-2,4-dioxo-1-phenylquinolin-3-yl) thiocyanate thiocyanic acid (3-butyl-2,4-diketo-1-phenyl-3-quinolyl) ester thiocyanic acid (3-butyl-2,4-dioxo-1-phenyl-3-quinolinyl) ester
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Formula C20H18N2O2S
InChI InChI=1S/C20H18N2O2S/c1-2-3-13-20(25-14-21)18(23)16-11-7-8-12-17(16)22(19(20)24)15-9-5-4-6-10-15/h4-12H,2-3,13H2,1H3
InChIKey WEFKRJMXKBXBHL-UHFFFAOYSA-N
Molecular Weight 350.436 g/mol
SMILES C1(N(c2ccccc2C(C1(CCCC)SC#N)=O)c1ccccc1)=O
SPLASH splash10-0udi-3290000000-7d7dea33042e8ec3f839
Source of Spectrum F-69-5649-2
Wiley ID 1595517