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N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylphenoxy)acetamide
SpectraBase Compound ID 4MeTPhH0j4K
InChI InChI=1S/C20H19N3O3S/c1-14-3-8-17(9-4-14)26-13-18(24)21-20-23-22-19(27-20)12-7-15-5-10-16(25-2)11-6-15/h3-12H,13H2,1-2H3,(H,21,23,24)/b12-7+
InChIKey GEJSFIUFYRDNEA-KPKJPENVSA-N
Mol Weight 381.45 g/mol
Molecular Formula C20H19N3O3S
Exact Mass 381.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtcR3GMaKUV
Name N-{5-[(E)-2-(4-Methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-2-(4-methylphenoxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.114712655 u
Formula C20H19N3O3S
InChI InChI=1S/C20H19N3O3S/c1-14-3-8-17(9-4-14)26-13-18(24)21-20-23-22-19(27-20)12-7-15-5-10-16(25-2)11-6-15/h3-12H,13H2,1-2H3,(H,21,23,24)/b12-7+
InChIKey GEJSFIUFYRDNEA-KPKJPENVSA-N
Molecular Weight 381.450 g/mol
SMILES N(C=1SC(\C=C\C=2C=CC(=CC2)OC)=NN1)C(=O)COC1=CC=C(C=C1)C