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#36;2-HYDROXYPROPYL-3-[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-

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#36;2-HYDROXYPROPYL-3-[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-
SpectraBase Compound ID HAkzPZUrlgS
InChI InChI=1S/C33H41F2N5O7/c1-21(42)37-25-7-3-6-23(18-25)22-10-14-39(15-11-22)13-4-12-36-32(44)40-30(24-8-9-26(34)27(35)19-24)29(31(43)47-17-5-16-41)28(20-46-2)38-33(40)45/h3,6-9,18-19,22,30,41H,4-5,10-17,20H2,1-2H3,(H,36,44)(H,37,42)(H,38,45)
InChIKey WUAYMMBZEBXIBN-UHFFFAOYSA-N
Mol Weight 657.7 g/mol
Molecular Formula C33H41F2N5O7
Exact Mass 657.297405 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XNtnfyM4pp
Name #36;2-HYDROXYPROPYL-3-[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H41F2N5O7
InChI InChI=1S/C33H41F2N5O7/c1-21(42)37-25-7-3-6-23(18-25)22-10-14-39(15-11-22)13-4-12-36-32(44)40-30(24-8-9-26(34)27(35)19-24)29(31(43)47-17-5-16-41)28(20-46-2)38-33(40)45/h3,6-9,18-19,22,30,41H,4-5,10-17,20H2,1-2H3,(H,36,44)(H,37,42)(H,38,45)
InChIKey WUAYMMBZEBXIBN-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
Solvent CDCl3
Source File Reference UWIR9570