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8-(p-chlorobenzylidene)-4-(p-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
SpectraBase Compound ID 8CkyImyBuCj
InChI InChI=1S/C21H18Cl2N2S/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(24-21(26)25-20(15)18)14-6-10-17(23)11-7-14/h4-12,19H,1-3H2,(H2,24,25,26)
InChIKey KVSPYRASURNEPV-UHFFFAOYSA-N
Mol Weight 401.36 g/mol
Molecular Formula C21H18Cl2N2S
Exact Mass 400.056775 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDawBTsCoyf
Name 8-(p-CHLOROBENZYLIDENE)-4-(p-CHLOROPHENYL)-3,4,5,6,7,8-HEXAHYDRO-2(1H)-QUINAZOLINETHIONE
Source of Sample L. Tamas, Medical University of Pecs, Pecs, Hungary
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18Cl2N2S
InChI InChI=1S/C21H18Cl2N2S/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(24-21(26)25-20(15)18)14-6-10-17(23)11-7-14/h4-12,19H,1-3H2,(H2,24,25,26)
InChIKey KVSPYRASURNEPV-UHFFFAOYSA-N
Melting Point 248-250C
Molecular Weight 401.36
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms QUINAZOLINETHIONE, 2/1H/-, 8-/P-CHLOROBENZYLIDENE/-4-/P-CHLOROPHENYL/-3,4,5,6,7,8-HEXAHYDRO-,