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1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indole-3-carbaldehyde
SpectraBase Compound ID 1bEXP0G9rA9
InChI InChI=1S/C18H12BrN3O2/c19-14-7-5-12(6-8-14)18-20-17(24-21-18)10-22-9-13(11-23)15-3-1-2-4-16(15)22/h1-9,11H,10H2
InChIKey YHQDBFJNEZSSES-UHFFFAOYSA-N
Mol Weight 382.22 g/mol
Molecular Formula C18H12BrN3O2
Exact Mass 381.01129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxAw3SfpCv4
Name 1-{[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indole-3-carbaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 381.011289636 u
Formula C18H12BrN3O2
InChI InChI=1S/C18H12BrN3O2/c19-14-7-5-12(6-8-14)18-20-17(24-21-18)10-22-9-13(11-23)15-3-1-2-4-16(15)22/h1-9,11H,10H2
InChIKey YHQDBFJNEZSSES-UHFFFAOYSA-N
Molecular Weight 382.217 g/mol
SMILES C=1C=CC2=C(N(C=C2C=O)CC2=NC(C3=CC=C(C=C3)Br)=NO2)C1