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4-METHOXYBENZYL-3-[(3-BROMOPROPYL)-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE

View entire compound with spectra: 1 NMR

4-METHOXYBENZYL-3-[(3-BROMOPROPYL)-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
SpectraBase Compound ID 9xUPDVnEPL3
InChI InChI=1S/2C25H26BrF2N3O6/c2*1-35-14-20-21(23(32)37-13-15-4-7-17(36-2)8-5-15)22(16-6-9-18(27)19(28)12-16)31(25(34)30-20)24(33)29-11-3-10-26/h2*4-9,12,22H,3,10-11,13-14H2,1-2H3,(H,29,33)(H,30,34)
InChIKey WLJFLMUTXMEYJZ-UHFFFAOYSA-N
Mol Weight 1164.8 g/mol
Molecular Formula C50H52Br2F4N6O12
Exact Mass 1162.19461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yNB5Arj16u
Name 4-METHOXYBENZYL-3-[(3-BROMOPROPYL)-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H52Br2F4N6O12
InChI InChI=1S/2C25H26BrF2N3O6/c2*1-35-14-20-21(23(32)37-13-15-4-7-17(36-2)8-5-15)22(16-6-9-18(27)19(28)12-16)31(25(34)30-20)24(33)29-11-3-10-26/h2*4-9,12,22H,3,10-11,13-14H2,1-2H3,(H,29,33)(H,30,34)
InChIKey WLJFLMUTXMEYJZ-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 1164.797 g/mol
Solvent CDCl3
Source File Reference UWIR9561