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3-(Para-methylphenyl)-2-thioxo-2,3,R-4a,cis-5,cis-8,cis-8a-hexahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID BM9lAf8ijFn
InChI InChI=1S/C16H16N2OS/c1-9-2-6-12(7-3-9)18-15(19)13-10-4-5-11(8-10)14(13)17-16(18)20/h2-7,10-11,13-14H,8H2,1H3,(H,17,20)/t10-,11+,13+,14-/m0/s1
InChIKey YIQPESGBIDTOCF-UNJBNNCHSA-N
Mol Weight 284.38 g/mol
Molecular Formula C16H16N2OS
Exact Mass 284.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtNkfNjhwRq
Name 3-(PARA-METHYLPHENYL)-2-THIOXO-2,3,R-4A,CIS-5,CIS-8,CIS-8A-HEXAHYDRO-5,8-METHANOQUINAZOLIN-4(1H)-ONE
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2OS
InChI InChI=1S/C16H16N2OS/c1-9-2-6-12(7-3-9)18-15(19)13-10-4-5-11(8-10)14(13)17-16(18)20/h2-7,10-11,13-14H,8H2,1H3,(H,17,20)/t10-,11+,13+,14-/m0/s1
InChIKey YIQPESGBIDTOCF-UNJBNNCHSA-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 284.376 g/mol
Solvent DMSO-D6
Source File Reference UWGB577