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CIS-4-OXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-3-PHENYL-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE
SpectraBase Compound ID AvjZZeNX2qf
InChI InChI=1S/C13H14N2OS/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,17)/t10-,11+/m0/s1
InChIKey RTEWNDCKIMPFGL-WDEREUQCSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tTTay3MXkb
Name CIS-4-OXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-3-PHENYL-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE
Compound Number CIS-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,17)/t10-,11+/m0/s1
InChIKey RTEWNDCKIMPFGL-WDEREUQCSA-N
Literature Reference Author E.ATAY,I.B.BLAGOEVA,F.L.CHUBB,J.T.EDWARD,I.G.POJARLIEFF,M.M. TOTEVA
Literature Reference Citation CAN.J.CHEM.,78,84(2000)
Literature Reference DOI 10.1139/cjc-78-1-84
Molecular Weight 246.327 g/mol
Solvent DMSO-D6
Source File Reference UWSI555