John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8DCmduJ5H0n SpectraBase Spectrum ID=10BNcQsjJUS

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3-{2-[3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHYL}-4-(4-CHLORO-2,5-DIMETHOXYPHENYL)-DELTA^2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID 8DCmduJ5H0n
InChI InChI=1S/C20H17Cl2N5O3S/c1-28-15-10-14(16(29-2)9-13(15)22)27-17(24-25-20(27)31)7-8-18-23-19(26-30-18)11-3-5-12(21)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,25,31)
InChIKey CQNKSAXDSRQCOK-UHFFFAOYSA-N
Mol Weight 478.35 g/mol
Molecular Formula C20H17Cl2N5O3S
Exact Mass 477.042917 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10BNcQsjJUS
Name 3-{2-[3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHYL}-4-(4-CHLORO-2,5-DIMETHOXYPHENYL)-delta2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
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Formula C20H17Cl2N5O3S
InChI InChI=1S/C20H17Cl2N5O3S/c1-28-15-10-14(16(29-2)9-13(15)22)27-17(24-25-20(27)31)7-8-18-23-19(26-30-18)11-3-5-12(21)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,25,31)
InChIKey CQNKSAXDSRQCOK-UHFFFAOYSA-N
Melting Point 240-242C
Molecular Weight 478.36
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID HmSpRKzLv34
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 3-/2-/3-/P-CHLOROPHENYL/-1,2,4-OXADIAZOL-5-YL/ETHYL/-4-/4-CHLORO-2,5-DIMETHOXYPHENYL/-,