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N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide

View entire compound with spectra: 2 NMR

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
SpectraBase Compound ID cDW1tUIZzH
InChI InChI=1S/C16H21N3O4S/c1-16(2,3)14-18-19-15(24-14)17-13(20)9-7-10(21-4)12(23-6)11(8-9)22-5/h7-8H,1-6H3,(H,17,19,20)
InChIKey NDWQMAVPQXSBCU-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dwy6CK32GHf
Name N-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 351.125277338 u
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-16(2,3)14-18-19-15(24-14)17-13(20)9-7-10(21-4)12(23-6)11(8-9)22-5/h7-8H,1-6H3,(H,17,19,20)
InChIKey NDWQMAVPQXSBCU-UHFFFAOYSA-N
Molecular Weight 351.421 g/mol
SMILES N(C=1SC(=NN1)C(C)(C)C)C(C1=CC(OC)=C(C(=C1)OC)OC)=O