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N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

View entire compound with spectra: 2 NMR

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SpectraBase Compound ID 7K60uMEWsbM
InChI InChI=1S/C19H19N3O2S/c1-24-16-10-7-15(8-11-16)13-18-21-22-19(25-18)20-17(23)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,20,22,23)
InChIKey ZZFOPXIKUTVHJB-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C19H19N3O2S
Exact Mass 353.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kkP9AFa4BM
Name N-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.119798036 u
Formula C19H19N3O2S
InChI InChI=1S/C19H19N3O2S/c1-24-16-10-7-15(8-11-16)13-18-21-22-19(25-18)20-17(23)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3,(H,20,22,23)
InChIKey ZZFOPXIKUTVHJB-UHFFFAOYSA-N
Molecular Weight 353.440 g/mol
SMILES N(C=1SC(CC=2C=CC(=CC2)OC)=NN1)C(=O)CCC1=CC=CC=C1