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2'-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-alpha,alpha,alpha-trifluoro-p-toluanilide
SpectraBase Compound ID EqiT0j8Ln3d
InChI InChI=1S/C23H15BrF3N3O3/c1-32-15-10-11-18(24)17(12-15)22-30-29-21(33-22)16-4-2-3-5-19(16)28-20(31)13-6-8-14(9-7-13)23(25,26)27/h2-12H,1H3,(H,28,31)
InChIKey IMBHNAVVRKQSKR-UHFFFAOYSA-N
Mol Weight 518.29 g/mol
Molecular Formula C23H15BrF3N3O3
Exact Mass 517.024889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcEhrCjUWUd
Name 2'-[5-(2-Bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-alpha,alpha,alpha-trifluoro-p-toluanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 517.024888841 u
Formula C23H15BrF3N3O3
InChI InChI=1S/C23H15BrF3N3O3/c1-32-15-10-11-18(24)17(12-15)22-30-29-21(33-22)16-4-2-3-5-19(16)28-20(31)13-6-8-14(9-7-13)23(25,26)27/h2-12H,1H3,(H,28,31)
InChIKey IMBHNAVVRKQSKR-UHFFFAOYSA-N
Molecular Weight 518.290 g/mol
SMILES N(C1=C(C=CC=C1)C=1OC(=NN1)C=1C(=CC=C(C1)OC)Br)C(C1=CC=C(C=C1)C(F)(F)F)=O