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3-Methyl-2-thioxo-2,3,R-4a,trans-5,6,7,trans-8,cis-8a-octahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID GUBUfi5vdVu
InChI InChI=1S/C10H14N2OS/c1-12-9(13)7-5-2-3-6(4-5)8(7)11-10(12)14/h5-8H,2-4H2,1H3,(H,11,14)/t5-,6+,7-,8+/m0/s1
InChIKey KCVTZJUMJRUYJB-FKSUSPILSA-N
Mol Weight 210.29 g/mol
Molecular Formula C10H14N2OS
Exact Mass 210.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSaOvVtlrM1
Name 3-METHYL-2-THIOXO-2,3,R-4A,TRANS-5,6,7,TRANS-8,CIS-8A-OCTAHYDRO-5,8-METHANOQUINAZOLIN-4(1H)-ONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N2OS
InChI InChI=1S/C10H14N2OS/c1-12-9(13)7-5-2-3-6(4-5)8(7)11-10(12)14/h5-8H,2-4H2,1H3,(H,11,14)/t5-,6+,7-,8+/m0/s1
InChIKey KCVTZJUMJRUYJB-FKSUSPILSA-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 210.294 g/mol
Solvent CDCl3
Source File Reference UWGB579