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5-ACETYL-4-HYDROXY-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDIN-2-ONE

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5-ACETYL-4-HYDROXY-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDIN-2-ONE
SpectraBase Compound ID 3wPOp4tBAJK
InChI InChI=1S/C13H13F3N2O2S/c1-7(19)9-10(8-5-3-2-4-6-8)17-11(21)18-12(9,20)13(14,15)16/h2-6,9-10,20H,1H3,(H2,17,18,21)/t9-,10-,12+/m0/s1
InChIKey UUOPEVYPPIGXRN-JBLDHEPKSA-N
Mol Weight 318.31 g/mol
Molecular Formula C13H13F3N2O2S
Exact Mass 318.064983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94CV6thaMgP
Name 5-ACETYL-4-HYDROXY-4-TRIFLUOROMETHYL-6-PHENYLHEXAHYDRO-PYRIMIDIN-2-ONE
Compound Number VIC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F3N2O2S
InChI InChI=1S/C13H13F3N2O2S/c1-7(19)9-10(8-5-3-2-4-6-8)17-11(21)18-12(9,20)13(14,15)16/h2-6,9-10,20H,1H3,(H2,17,18,21)/t9-,10-,12+/m0/s1
InChIKey UUOPEVYPPIGXRN-JBLDHEPKSA-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
Molecular Weight 318.314 g/mol
Solvent DMSO-D6
Source File Reference UWVN5530