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2-[4-(3-Bromobenzyl)oxyphenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[4-(3-Bromobenzyl)oxyphenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
SpectraBase Compound ID DkFJfKHCE0V
InChI InChI=1S/C23H19BrN2O3/c1-16-4-2-7-21(12-16)28-15-22-25-26-23(29-22)18-8-10-20(11-9-18)27-14-17-5-3-6-19(24)13-17/h2-13H,14-15H2,1H3
InChIKey UXMQBDPMMGDSEW-UHFFFAOYSA-N
Mol Weight 451.32 g/mol
Molecular Formula C23H19BrN2O3
Exact Mass 450.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0carDKpr5o
Name 2-[4-(3-Bromobenzyl)oxyphenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.057905477 u
Formula C23H19BrN2O3
InChI InChI=1S/C23H19BrN2O3/c1-16-4-2-7-21(12-16)28-15-22-25-26-23(29-22)18-8-10-20(11-9-18)27-14-17-5-3-6-19(24)13-17/h2-13H,14-15H2,1H3
InChIKey UXMQBDPMMGDSEW-UHFFFAOYSA-N
Molecular Weight 451.320 g/mol
SMILES CC1=CC(OCC2=NN=C(O2)C2=CC=C(OCC3=CC(Br)=CC=C3)C=C2)=CC=C1