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#29;4-METHOXYBENZYL-3-[[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL]-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN

View entire compound with spectra: 1 NMR

#29;4-METHOXYBENZYL-3-[[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL]-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN
SpectraBase Compound ID 6prZms2Smxa
InChI InChI=1S/2C38H43F2N5O7/c2*1-24(46)42-29-7-4-6-27(20-29)26-14-18-44(19-15-26)17-5-16-41-37(48)45-35(28-10-13-31(39)32(40)21-28)34(33(23-50-2)43-38(45)49)36(47)52-22-25-8-11-30(51-3)12-9-25/h2*4,6-13,20-21,26,35H,5,14-19,22-23H2,1-3H3,(H,41,48)(H,42,46)(H,43,49)
InChIKey FVTHWZYOXORPTO-UHFFFAOYSA-N
Mol Weight 1439.6 g/mol
Molecular Formula C76H86F4N10O14
Exact Mass 1438.62611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75CDrHxMNcT
Name #29;4-METHOXYBENZYL-3-[[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL]-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H86F4N10O14
InChI InChI=1S/2C38H43F2N5O7/c2*1-24(46)42-29-7-4-6-27(20-29)26-14-18-44(19-15-26)17-5-16-41-37(48)45-35(28-10-13-31(39)32(40)21-28)34(33(23-50-2)43-38(45)49)36(47)52-22-25-8-11-30(51-3)12-9-25/h2*4,6-13,20-21,26,35H,5,14-19,22-23H2,1-3H3,(H,41,48)(H,42,46)(H,43,49)
InChIKey FVTHWZYOXORPTO-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 1439.571 g/mol
Solvent CDCl3
Source File Reference UWIR9565