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N2-(3,4-Dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID 5oS0mpcGGHb
InChI InChI=1S/C9H7Cl2N3S/c1-5-13-14-9(15-5)12-6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,12,14)
InChIKey WTSPYGGTIQWZHV-UHFFFAOYSA-N
Mol Weight 260.14 g/mol
Molecular Formula C9H7Cl2N3S
Exact Mass 258.973774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjEXdIcVFWP
Name N2-(3,4-Dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
Comments Computed using HOSE algorithm
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Exact Mass 258.973773811 u
Formula C9H7Cl2N3S
InChI InChI=1S/C9H7Cl2N3S/c1-5-13-14-9(15-5)12-6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,12,14)
InChIKey WTSPYGGTIQWZHV-UHFFFAOYSA-N
SMILES C=1(SC(C)=NN1)NC=1C=CC(Cl)=C(C1)Cl