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Benzamide, 4-fluoro-N-[5-(2,4-dichlorobenzylthio)-1,3,4-thiadiazol-2yl]-
SpectraBase Compound ID woPYnfxVBP
InChI InChI=1S/C16H10Cl2FN3OS2/c17-11-4-1-10(13(18)7-11)8-24-16-22-21-15(25-16)20-14(23)9-2-5-12(19)6-3-9/h1-7H,8H2,(H,20,21,23)
InChIKey KFTYTFONUYUQIO-UHFFFAOYSA-N
Mol Weight 414.3 g/mol
Molecular Formula C16H10Cl2FN3OS2
Exact Mass 412.962638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7d7P8pIc04
Name Benzamide, 4-fluoro-N-[5-(2,4-dichlorobenzylthio)-1,3,4-thiadiazol-2yl]-
Comments Computed using HOSE algorithm
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Exact Mass 412.962637864 u
Formula C16H10Cl2FN3OS2
InChI InChI=1S/C16H10Cl2FN3OS2/c17-11-4-1-10(13(18)7-11)8-24-16-22-21-15(25-16)20-14(23)9-2-5-12(19)6-3-9/h1-7H,8H2,(H,20,21,23)
InChIKey KFTYTFONUYUQIO-UHFFFAOYSA-N
Molecular Weight 414.300 g/mol
SMILES C=1(SC(SCC2=CC=C(C=C2Cl)Cl)=NN1)NC(=O)C1=CC=C(C=C1)F