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5-(p-chlorobenzylidene)-4-(p-chlorophenyl)-6,7-dihydro-2-(methylthio)-5H-cyclopentapyrimidine

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5-(p-chlorobenzylidene)-4-(p-chlorophenyl)-6,7-dihydro-2-(methylthio)-5H-cyclopentapyrimidine
SpectraBase Compound ID 9L0OkzjOLZb
InChI InChI=1S/C21H16Cl2N2S/c1-26-21-24-18-11-6-15(12-13-2-7-16(22)8-3-13)19(18)20(25-21)14-4-9-17(23)10-5-14/h2-5,7-10,12H,6,11H2,1H3
InChIKey NRCMPRXLUGYZFY-UHFFFAOYSA-N
Mol Weight 399.34 g/mol
Molecular Formula C21H16Cl2N2S
Exact Mass 398.041125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GsqmQefHhI
Name 5-(p-CHLOROBENZYLIDENE)-4-(p-CHLOROPHENYL)-6,7-DIHYDRO-2-(METHYLTHIO)-5H-CYCLOPENTAPYRIMIDINE
Source of Sample G.H. Elgemeie & S.S. Al-Kaabi, Qatar University, State of Qatar
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl2N2S
InChI InChI=1S/C21H16Cl2N2S/c1-26-21-24-18-11-6-15(12-13-2-7-16(22)8-3-13)19(18)20(25-21)14-4-9-17(23)10-5-14/h2-5,7-10,12H,6,11H2,1H3
InChIKey NRCMPRXLUGYZFY-UHFFFAOYSA-N
Melting Point 155C
Molecular Weight 399.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 5H-CYCLOPENTAPYRIMIDINE, 5-/P-CHLOROBENZYLIDENE/-4-/P-CHLOROPHENYL/-6,7-DIHYDRO-2-/METHYLTHIO/-,