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1,2,4-oxadiazole, 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-
SpectraBase Compound ID 68kmcYFjp0T
InChI InChI=1S/C18H14ClFN2O/c1-12-5-7-13(8-6-12)9-10-18-21-17(22-23-18)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3/b10-9+
InChIKey RGILFVCBDXMVOV-MDZDMXLPSA-N
Mol Weight 328.77 g/mol
Molecular Formula C18H14ClFN2O
Exact Mass 328.077869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FNWsWSgX2l
Name 1,2,4-Oxadiazole, 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(E)-2-(4-methylphenyl)ethenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.077868941 u
Formula C18H14ClFN2O
InChI InChI=1S/C18H14ClFN2O/c1-12-5-7-13(8-6-12)9-10-18-21-17(22-23-18)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3/b10-9+
InChIKey RGILFVCBDXMVOV-MDZDMXLPSA-N
Molecular Weight 328.774 g/mol
SMILES CC1=CC=C(\C=C\C2=NC(=NO2)CC=2C(Cl)=CC=CC2F)C=C1