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METHYL-4-HYDROXY-4-(1,1,2,2-TETRAFLUOROETHYL)-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID AleZm8kUvyd
InChI InChI=1S/C14H14F4N2O3S/c1-23-10(21)8-9(7-5-3-2-4-6-7)19-12(24)20-14(8,22)13(17,18)11(15)16/h2-6,8-9,11,22H,1H3,(H2,19,20,24)/t8-,9+,14-/m1/s1
InChIKey YMUTXBGAPWAXRQ-TVLCNXBWSA-N
Mol Weight 366.33 g/mol
Molecular Formula C14H14F4N2O3S
Exact Mass 366.066126 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxIrPnrDwCh
Name METHYL-4-HYDROXY-4-(1,1,2,2-TETRAFLUOROETHYL)-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number VE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14F4N2O3S
InChI InChI=1S/C14H14F4N2O3S/c1-23-10(21)8-9(7-5-3-2-4-6-7)19-12(24)20-14(8,22)13(17,18)11(15)16/h2-6,8-9,11,22H,1H3,(H2,19,20,24)/t8-,9+,14-/m1/s1
InChIKey YMUTXBGAPWAXRQ-TVLCNXBWSA-N
Literature Reference Author Y.V.BURGART,O.G.KUZUEVA,M.V.PRYADEINA,C.O.KAPPE,V.I.SALOUTIN
Literature Reference Citation RUSS.J.ORG.CHEM.,37,869(2001)
Literature Reference DOI 10.1023/A:1012473901354
Solvent C6F6
Source File Reference UWVN5518