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ETHYL-4-HYDROXY-4-NONAFLUOROBUTYL-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID 8bvI8yiRs2D
InChI InChI=1S/C17H15F9N2O3S/c1-2-31-11(29)9-10(8-6-4-3-5-7-8)27-12(32)28-13(9,30)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,9-10,30H,2H2,1H3,(H2,27,28,32)/t9-,10+,13-/m1/s1
InChIKey WYFGGVSUGAVBJA-GBIKHYSHSA-N
Mol Weight 498.36 g/mol
Molecular Formula C17H15F9N2O3S
Exact Mass 498.065967 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8K5Ho7AwZ1
Name ETHYL-4-HYDROXY-4-NONAFLUOROBUTYL-2-THIOXO-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number VG
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15F9N2O3S
InChI InChI=1S/C17H15F9N2O3S/c1-2-31-11(29)9-10(8-6-4-3-5-7-8)27-12(32)28-13(9,30)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,9-10,30H,2H2,1H3,(H2,27,28,32)/t9-,10+,13-/m1/s1
InChIKey WYFGGVSUGAVBJA-GBIKHYSHSA-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 UWVN5520