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2-HYDROXYETHYL-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID 4HIn6NPsJgP
InChI InChI=1S/2C15H16F2N2O5/c2*1-23-7-11-12(14(21)24-5-4-20)13(19-15(22)18-11)8-2-3-9(16)10(17)6-8/h2*2-3,6,13,20H,4-5,7H2,1H3,(H2,18,19,22)
InChIKey NBQPXLSQAXNWAA-UHFFFAOYSA-N
Mol Weight 684.6 g/mol
Molecular Formula C30H32F4N4O10
Exact Mass 684.205456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93HGUSGTtdO
Name 2-HYDROXYETHYL-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32F4N4O10
InChI InChI=1S/2C15H16F2N2O5/c2*1-23-7-11-12(14(21)24-5-4-20)13(19-15(22)18-11)8-2-3-9(16)10(17)6-8/h2*2-3,6,13,20H,4-5,7H2,1H3,(H2,18,19,22)
InChIKey NBQPXLSQAXNWAA-UHFFFAOYSA-N
Literature Reference Author E.SCHIRMER,K.SHANAB,B.DATTERL,C.NEUDORFER,M.MITTERHAUSER,W.W ADSAK,C.PHILIPPE
Literature Reference Citation MOLECULES,18,12119(2013)
Literature Reference DOI 10.3390/molecules181012119
Molecular Weight 684.598 g/mol
Solvent CDCl3
Source File Reference UWIR9557