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(5Z)-3-allyl-5-[4-(diethylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID HKWz4FJYUU8
InChI InChI=1S/C17H20N2OS2/c1-4-11-19-16(20)15(22-17(19)21)12-13-7-9-14(10-8-13)18(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3/b15-12-
InChIKey KSZLXIRJXYCNEC-QINSGFPZSA-N
Mol Weight 332.48 g/mol
Molecular Formula C17H20N2OS2
Exact Mass 332.101706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NBnxx7sRZi
Name (5Z)-3-Allyl-5-[4-(diethylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 332.101705619 u
Formula C17H20N2OS2
InChI InChI=1S/C17H20N2OS2/c1-4-11-19-16(20)15(22-17(19)21)12-13-7-9-14(10-8-13)18(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3/b15-12-
InChIKey KSZLXIRJXYCNEC-QINSGFPZSA-N
Molecular Weight 332.480 g/mol
SMILES CCN(C1=CC=C(\C=C\2C(N(C(S2)=S)CC=C)=O)C=C1)CC