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2-Isobutyl-5-(3-nitrobenzylideneamino)-1,3,4-thiadiazole
SpectraBase Compound ID 6TsIj0a8xru
InChI InChI=1S/C13H14N4O2S/c1-9(2)6-12-15-16-13(20-12)14-8-10-4-3-5-11(7-10)17(18)19/h3-5,7-9H,6H2,1-2H3/b14-8+
InChIKey KCWIBNFPZNPHPE-RIYZIHGNSA-N
Mol Weight 290.34 g/mol
Molecular Formula C13H14N4O2S
Exact Mass 290.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1wOn4svrFo
Name 2-Isobutyl-5-(3-nitrobenzylideneamino)-1,3,4-thiadiazole
Alternate Name(s) (E)-(5-isobutyl-1,3,4-thiadiazol-2-yl)-(3-nitrobenzylidene)amine 5-Isobutyl-N-[(E)-(3-nitrophenyl)methylidene]-1,3,4-thiadiazol-2-amine (E)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1-(3-nitrophenyl)methanimine
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Formula C13H14N4O2S
InChI InChI=1S/C13H14N4O2S/c1-9(2)6-12-15-16-13(20-12)14-8-10-4-3-5-11(7-10)17(18)19/h3-5,7-9H,6H2,1-2H3/b14-8+
InChIKey KCWIBNFPZNPHPE-RIYZIHGNSA-N
Molecular Weight 290.341 g/mol
SMILES c1(nnc(s1)CC(C)C)\N=C\c1cc(ccc1)N(=O)=O
SPLASH splash10-00kf-9400000000-23658763c699f9e1cf1e
Wiley ID 1468690