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CIS-1-BENZYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-CYCLOPENTA-[D]-PYRIMIDINE-4-ONE
SpectraBase Compound ID GPWSpzrod9Q
InChI InChI=1S/C14H16N2OS/c17-13-11-7-4-8-12(11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17,18)/t11-,12+/m1/s1
InChIKey YBGBSRWQZLSZMQ-NEPJUHHUSA-N
Mol Weight 260.35 g/mol
Molecular Formula C14H16N2OS
Exact Mass 260.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69BiHLDtBEs
Name CIS-1-BENZYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-CYCLOPENTA-[D]-PYRIMIDINE-4-ONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2OS
InChI InChI=1S/C14H16N2OS/c17-13-11-7-4-8-12(11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17,18)/t11-,12+/m1/s1
InChIKey YBGBSRWQZLSZMQ-NEPJUHHUSA-N
Literature Reference Author F.FUELOEP,Z.SZAKONYI,G.BERNATH,P.SOHAR
Literature Reference Citation J.HETCYCL.CHEM.,34,1211(1997)
Literature Reference DOI 10.1002/jhet.5570340419
Molecular Weight 260.354 g/mol
Solvent CDCl3
Source File Reference UWSW709