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3-(3"-Nitrophenyl)-6-(pyrrolidin-2'-yl)-[1,2,4]triazolo[3,4-b]thiadiazole
SpectraBase Compound ID H5nUiSQES9l
InChI InChI=1S/C13H12N6O2S/c20-19(21)9-4-1-3-8(7-9)11-15-16-13-18(11)17-12(22-13)10-5-2-6-14-10/h1,3-4,7,10,14H,2,5-6H2/t10-/m0/s1
InChIKey YGCDDAIDICUGMN-JTQLQIEISA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMYfnEfZ6hB
Name 3-(3"-Nitrophenyl)-6-(pyrrolidin-2'-yl)-[1,2,4]triazolo[3,4-b]thiadiazole
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Formula C13H12N6O2S
InChI InChI=1S/C13H12N6O2S/c20-19(21)9-4-1-3-8(7-9)11-15-16-13-18(11)17-12(22-13)10-5-2-6-14-10/h1,3-4,7,10,14H,2,5-6H2/t10-/m0/s1
InChIKey YGCDDAIDICUGMN-JTQLQIEISA-N
Molecular Weight 316.339 g/mol
SMILES N1CCC[C@]1(C1=N[n]2c(S1)nnc2-c1cc(N(=O)=O)ccc1)[H]
SPLASH splash10-052f-0980000000-606f187901129d296668
Source of Spectrum Y-38-356-0
Synonyms 3-(3''-Nitrophenyl)-6-(pyrrolidin-2'-yl)-[1,2,4]triazolo[3,4-b]thiadiazole 3-(3-nitrophenyl)-6-[(2S)-2-pyrrolidinyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 848268