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2-(4-ethylphenoxy)-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}acetamide
SpectraBase Compound ID 1OZa1k6lbZQ
InChI InChI=1S/C21H21N3O3S/c1-3-15-4-11-18(12-5-15)27-14-19(25)22-21-24-23-20(28-21)13-8-16-6-9-17(26-2)10-7-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)/b13-8+
InChIKey VBBMRBPHXURSPR-MDWZMJQESA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkPZUxOhTFP
Name 2-(4-Ethylphenoxy)-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.130362719 u
Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c1-3-15-4-11-18(12-5-15)27-14-19(25)22-21-24-23-20(28-21)13-8-16-6-9-17(26-2)10-7-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)/b13-8+
InChIKey VBBMRBPHXURSPR-MDWZMJQESA-N
Molecular Weight 395.477 g/mol
SMILES N(C=1SC(\C=C\C=2C=CC(=CC2)OC)=NN1)C(=O)COC1=CC=C(C=C1)CC