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3-Phenyl-2-thioxo-2,3,R-4a,trans-5,6,7,trans-8,cis-8a-octahydro-5,8-methanoquinazolin-4(1H)-one
SpectraBase Compound ID 6FZe0gLSEWE
InChI InChI=1S/C15H16N2OS/c18-14-12-9-6-7-10(8-9)13(12)16-15(19)17(14)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,16,19)/t9-,10+,12-,13+/m0/s1
InChIKey OLRMOESAGLEAHP-JULQROHOSA-N
Mol Weight 272.37 g/mol
Molecular Formula C15H16N2OS
Exact Mass 272.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNFohNP0IiX
Name 3-PHENYL-2-THIOXO-2,3,R-4A,TRANS-5,6,7,TRANS-8,CIS-8A-OCTAHYDRO-5,8-METHANOQUINAZOLIN-4(1H)-ONE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16N2OS
InChI InChI=1S/C15H16N2OS/c18-14-12-9-6-7-10(8-9)13(12)16-15(19)17(14)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,16,19)/t9-,10+,12-,13+/m0/s1
InChIKey OLRMOESAGLEAHP-JULQROHOSA-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 272.365 g/mol
Solvent CDCl3
Source File Reference UWGB580