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4-tert-butyl-N-{5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
SpectraBase Compound ID 5wwAWEDKYJh
InChI InChI=1S/C21H23N3O2S/c1-14-5-11-17(12-6-14)26-13-18-23-24-20(27-18)22-19(25)15-7-9-16(10-8-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIKey USVMQKXUWRLJKG-UHFFFAOYSA-N
Mol Weight 381.49 g/mol
Molecular Formula C21H23N3O2S
Exact Mass 381.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74epmshb5Fv
Name 4-Tert-butyl-N-{5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Comments Computed using HOSE algorithm
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Exact Mass 381.151098165 u
Formula C21H23N3O2S
InChI InChI=1S/C21H23N3O2S/c1-14-5-11-17(12-6-14)26-13-18-23-24-20(27-18)22-19(25)15-7-9-16(10-8-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,24,25)
InChIKey USVMQKXUWRLJKG-UHFFFAOYSA-N
Molecular Weight 381.494 g/mol
SMILES N(C=1SC(COC2=CC=C(C=C2)C)=NN1)C(C1=CC=C(C(C)(C)C)C=C1)=O