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2-(4-Chlorophenyl)-5-({[1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}thio)-1,3,4-oxadiazole

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2-(4-Chlorophenyl)-5-({[1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}thio)-1,3,4-oxadiazole
SpectraBase Compound ID D6p6fk9rGS8
InChI InChI=1S/C18H13ClFN5OS/c19-14-5-3-13(4-6-14)17-22-23-18(26-17)27-11-16-10-25(24-21-16)9-12-1-7-15(20)8-2-12/h1-8,10H,9,11H2
InChIKey XOSUXRSWCAMKGU-UHFFFAOYSA-N
Mol Weight 401.85 g/mol
Molecular Formula C18H13ClFN5OS
Exact Mass 401.051337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaUU3KoAf2l
Name 2-(4-Chlorophenyl)-5-({[1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}thio)-1,3,4-oxadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.051337095 u
Formula C18H13ClFN5OS
InChI InChI=1S/C18H13ClFN5OS/c19-14-5-3-13(4-6-14)17-22-23-18(26-17)27-11-16-10-25(24-21-16)9-12-1-7-15(20)8-2-12/h1-8,10H,9,11H2
InChIKey XOSUXRSWCAMKGU-UHFFFAOYSA-N
Molecular Weight 401.847 g/mol
SMILES C=1(OC(=NN1)SCC=1N=NN(C1)CC1=CC=C(C=C1)F)C1=CC=C(C=C1)Cl