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2-chloro-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide

View entire compound with spectra: 2 NMR

2-chloro-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID 74fRADMa06S
InChI InChI=1S/C18H16ClN3O3S/c1-24-14-8-7-11(9-15(14)25-2)10-16-21-22-18(26-16)20-17(23)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKey FJAQJCLKRFILDF-UHFFFAOYSA-N
Mol Weight 389.86 g/mol
Molecular Formula C18H16ClN3O3S
Exact Mass 389.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQne66z8XYF
Name 2-Chloro-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.060090258 u
Formula C18H16ClN3O3S
InChI InChI=1S/C18H16ClN3O3S/c1-24-14-8-7-11(9-15(14)25-2)10-16-21-22-18(26-16)20-17(23)12-5-3-4-6-13(12)19/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKey FJAQJCLKRFILDF-UHFFFAOYSA-N
Molecular Weight 389.857 g/mol
SMILES N(C(C=1C(Cl)=CC=CC1)=O)C=1SC(CC=2C=C(OC)C(=CC2)OC)=NN1