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1,4-bis[3-[4-Trifluoromethylphenyl]-1,2,4-oxadiazolyl]benzene

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1,4-bis[3-[4-Trifluoromethylphenyl]-1,2,4-oxadiazolyl]benzene
SpectraBase Compound ID F6YvmUeTv5D
InChI InChI=1S/C24H12F6N4O2/c25-23(26,27)17-9-5-13(6-10-17)19-31-21(35-33-19)15-1-2-16(4-3-15)22-32-20(34-36-22)14-7-11-18(12-8-14)24(28,29)30/h1-12H
InChIKey CEOOYTYEYIYWFT-UHFFFAOYSA-N
Mol Weight 502.38 g/mol
Molecular Formula C24H12F6N4O2
Exact Mass 502.086445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTAUfVHEa54
Name 1,4-bis[3-[4-Trifluoromethylphenyl]-1,2,4-oxadiazolyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.086444618 u
Formula C24H12F6N4O2
InChI InChI=1S/C24H12F6N4O2/c25-23(26,27)17-9-5-13(6-10-17)19-31-21(35-33-19)15-1-2-16(4-3-15)22-32-20(34-36-22)14-7-11-18(12-8-14)24(28,29)30/h1-12H
InChIKey CEOOYTYEYIYWFT-UHFFFAOYSA-N
Molecular Weight 502.376 g/mol
SMILES C1=C(C=CC(=C1)C=1ON=C(C2=CC=C(C(F)(F)F)C=C2)N1)C1=NC(=NO1)C1=CC=C(C=C1)C(F)(F)F