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2-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-5-(5-nitro-2-thienyl)-delta square-1,3,4-oxadiazolin-4-yl methyl ketone

View entire compound with spectra: 2 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

2-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-5-(5-nitro-2-thienyl)-delta square-1,3,4-oxadiazolin-4-yl methyl ketone
SpectraBase Compound ID D9pJ8iZ2mUL
InChI InChI=1S/C18H12Cl2N4O5S/c1-8-14(16(22-29-8)15-10(19)4-3-5-11(15)20)17-21-23(9(2)25)18(28-17)12-6-7-13(30-12)24(26)27/h3-7,18H,1-2H3
InChIKey ORIAFMSIYORYAR-UHFFFAOYSA-N
Mol Weight 467.28 g/mol
Molecular Formula C18H12Cl2N4O5S
Exact Mass 465.990546 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JVFQvyh480A
Name 2-[3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-5-(5-NITRO-2-THIENYL)-delta2-1,3,4-OXADIAZOLIN-4-YL METHYL KETONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2N4O5S
InChI InChI=1S/C18H12Cl2N4O5S/c1-8-14(16(22-29-8)15-10(19)4-3-5-11(15)20)17-21-23(9(2)25)18(28-17)12-6-7-13(30-12)24(26)27/h3-7,18H,1-2H3
InChIKey ORIAFMSIYORYAR-UHFFFAOYSA-N
Melting Point 133-134C
Molecular Weight 467.29
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20