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N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide
SpectraBase Compound ID 2woWvaki6SP
InChI InChI=1S/C21H21N3O2S/c1-3-18(16-7-5-4-6-8-16)20(25)22-21-24-23-19(27-21)14-11-15-9-12-17(26-2)13-10-15/h4-14,18H,3H2,1-2H3,(H,22,24,25)/b14-11+
InChIKey UVZYIZZIYNWEPN-SDNWHVSQSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN6xRNDNu9D
Name N-{5-[(E)-2-(4-Methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.135448100 u
Formula C21H21N3O2S
InChI InChI=1S/C21H21N3O2S/c1-3-18(16-7-5-4-6-8-16)20(25)22-21-24-23-19(27-21)14-11-15-9-12-17(26-2)13-10-15/h4-14,18H,3H2,1-2H3,(H,22,24,25)/b14-11+
InChIKey UVZYIZZIYNWEPN-SDNWHVSQSA-N
Molecular Weight 379.478 g/mol
SMILES N(C=1SC(\C=C\C=2C=CC(=CC2)OC)=NN1)C(C(C1=CC=CC=C1)CC)=O