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5-[(BENZOTHIAZOL-2-YL)-CYANOMETHYLENE]-4-tert-BUTYL-2-METHYL-2,5-DIHYDRO-1,2,3-THIADIAZOLE
SpectraBase Compound ID JJhfwKHQYRG
InChI InChI=1S/C16H16N4S2/c1-16(2,3)14-13(22-20(4)19-14)10(9-17)15-18-11-7-5-6-8-12(11)21-15/h5-8H,1-4H3/b13-10-
InChIKey CWFLBMIEUGJFAI-RAXLEYEMSA-N
Mol Weight 328.45 g/mol
Molecular Formula C16H16N4S2
Exact Mass 328.081639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yDQ7yplitZ
Name 4-t-Butyl-5-[(benzothiazol-2-yl)cyanomethylene]-2-methyl-2,5-dihydro-1,2,3-thiadiazole
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Formula C16H16N4S2
InChI InChI=1S/C16H16N4S2/c1-16(2,3)14-13(22-20(4)19-14)10(9-17)15-18-11-7-5-6-8-12(11)21-15/h5-8H,1-4H3/b13-10-
InChIKey CWFLBMIEUGJFAI-RAXLEYEMSA-N
Molecular Weight 328.452 g/mol
SMILES c1(\C(=C\2C(=NN(S2)C)C(C)(C)C)C#N)nc2ccccc2s1
SPLASH splash10-004r-1069000000-58cad41069a07927287a
Source of Spectrum KC-0-2550-28
Wiley ID 782152