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TERT.-BUTYL-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID CuIAK90TTWA
InChI InChI=1S/2C17H20F2N2O4/c2*1-17(2,3)25-15(22)13-12(8-24-4)20-16(23)21-14(13)9-5-6-10(18)11(19)7-9/h2*5-7,14H,8H2,1-4H3,(H2,20,21,23)
InChIKey WBZVREPXNPZOJQ-UHFFFAOYSA-N
Mol Weight 708.71 g/mol
Molecular Formula C34H40F4N4O8
Exact Mass 708.278227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8kvchMLiAb
Name TERT.-BUTYL-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40F4N4O8
InChI InChI=1S/2C17H20F2N2O4/c2*1-17(2,3)25-15(22)13-12(8-24-4)20-16(23)21-14(13)9-5-6-10(18)11(19)7-9/h2*5-7,14H,8H2,1-4H3,(H2,20,21,23)
InChIKey WBZVREPXNPZOJQ-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 708.707 g/mol
Solvent CDCl3
Source File Reference UWIR9559