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3-chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide

View entire compound with spectra: 2 NMR

3-chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID 6KWdUCNJozH
InChI InChI=1S/C16H12ClN3O2S/c1-22-13-7-3-5-11(9-13)15-19-20-16(23-15)18-14(21)10-4-2-6-12(17)8-10/h2-9H,1H3,(H,18,20,21)
InChIKey ZQVTYGBPAPHUII-UHFFFAOYSA-N
Mol Weight 345.8 g/mol
Molecular Formula C16H12ClN3O2S
Exact Mass 345.033876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2GD5DMaqgu
Name 3-Chloro-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 345.033875510 u
Formula C16H12ClN3O2S
InChI InChI=1S/C16H12ClN3O2S/c1-22-13-7-3-5-11(9-13)15-19-20-16(23-15)18-14(21)10-4-2-6-12(17)8-10/h2-9H,1H3,(H,18,20,21)
InChIKey ZQVTYGBPAPHUII-UHFFFAOYSA-N
Molecular Weight 345.804 g/mol
SMILES N(C=1SC(=NN1)C1=CC(OC)=CC=C1)C(C=1C=C(Cl)C=CC1)=O