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3-(Para-chlorophenyl)-2-thioxo-2,3,R-4a,trans-5,trans-8,cis-8a-hexahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID DNaN18zWbCu
InChI InChI=1S/C15H13ClN2OS/c16-10-3-5-11(6-4-10)18-14(19)12-8-1-2-9(7-8)13(12)17-15(18)20/h1-6,8-9,12-13H,7H2,(H,17,20)/t8-,9+,12-,13+/m0/s1
InChIKey YNZKMESKLOAYJM-GAQJKIJGSA-N
Mol Weight 304.8 g/mol
Molecular Formula C15H13ClN2OS
Exact Mass 304.043712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HhuT2gyg39
Name 3-(PARA-CHLOROPHENYL)-2-THIOXO-2,3,R-4A,TRANS-5,TRANS-8,CIS-8A-HEXAHYDRO-5,8-METHANOQUINAZOLIN-4(1H)-ONE
Compound Number 10E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13ClN2OS
InChI InChI=1S/C15H13ClN2OS/c16-10-3-5-11(6-4-10)18-14(19)12-8-1-2-9(7-8)13(12)17-15(18)20/h1-6,8-9,12-13H,7H2,(H,17,20)/t8-,9+,12-,13+/m0/s1
InChIKey YNZKMESKLOAYJM-GAQJKIJGSA-N
Literature Reference Author G.STAJER,A.E.SZABO,J.PINTYE,G.BERNATH,P.SOHAR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2483(1985)
Literature Reference DOI 10.1039/p19850002483
Molecular Weight 304.794 g/mol
Solvent DMSO-D6
Source File Reference UWGB574