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ETHYL-4-HYDROXY-2-THIOXO-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE

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ETHYL-4-HYDROXY-2-THIOXO-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID FeML2k3ZwvZ
InChI InChI=1S/C14H15F3N2O3S/c1-2-22-11(20)9-10(8-6-4-3-5-7-8)18-12(23)19-13(9,21)14(15,16)17/h3-7,9-10,21H,2H2,1H3,(H2,18,19,23)/t9-,10+,13-/m1/s1
InChIKey MOODWPVZKBDFAL-GBIKHYSHSA-N
Mol Weight 348.34 g/mol
Molecular Formula C14H15F3N2O3S
Exact Mass 348.075548 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IO2WPp9xxvi
Name ETHYL-4-HYDROXY-2-THIOXO-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number VH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F3N2O3S
InChI InChI=1S/C14H15F3N2O3S/c1-2-22-11(20)9-10(8-6-4-3-5-7-8)18-12(23)19-13(9,21)14(15,16)17/h3-7,9-10,21H,2H2,1H3,(H2,18,19,23)/t9-,10+,13-/m1/s1
InChIKey MOODWPVZKBDFAL-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 DMSO-D6
Source File Reference UWVN5529