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

View entire compound with spectra: 2 NMR

4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID LQ3BjNFi4dM
InChI InChI=1S/C20H21N3O2S/c1-20(2,3)15-9-5-13(6-10-15)17(24)21-19-23-22-18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3,(H,21,23,24)
InChIKey PNVUCVZSKCFLAG-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C20H21N3O2S
Exact Mass 367.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeiyIUSaJv4
Name 4-Tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 367.135448100 u
Formula C20H21N3O2S
InChI InChI=1S/C20H21N3O2S/c1-20(2,3)15-9-5-13(6-10-15)17(24)21-19-23-22-18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3,(H,21,23,24)
InChIKey PNVUCVZSKCFLAG-UHFFFAOYSA-N
Molecular Weight 367.467 g/mol
SMILES N(C=1SC(=NN1)C=1C=CC(=CC1)OC)C(C1=CC=C(C(C)(C)C)C=C1)=O