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ETHYL-6-NONAFLUOROBUTYL-2-THIOXO-4-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID 3BHpZWSS0As
InChI InChI=1S/C17H13F9N2O2S/c1-2-30-12(29)9-10(8-6-4-3-5-7-8)27-13(31)28-11(9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10H,2H2,1H3,(H2,27,28,31)
InChIKey DPPZXQLFUUGHRN-UHFFFAOYSA-N
Mol Weight 480.35 g/mol
Molecular Formula C17H13F9N2O2S
Exact Mass 480.055402 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CabZgESFgJ6
Name ETHYL-6-NONAFLUOROBUTYL-2-THIOXO-4-PHENYL-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number VIIIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F9N2O2S
InChI InChI=1S/C17H13F9N2O2S/c1-2-30-12(29)9-10(8-6-4-3-5-7-8)27-13(31)28-11(9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10H,2H2,1H3,(H2,27,28,31)
InChIKey DPPZXQLFUUGHRN-UHFFFAOYSA-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 UWVN5526