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#31;TERT.-BUTYL-3-[[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL]-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-
SpectraBase Compound ID JDyvBK5dZLI
InChI InChI=1S/2C34H43F2N5O6/c2*1-21(42)38-25-9-6-8-23(18-25)22-12-16-40(17-13-22)15-7-14-37-32(44)41-30(24-10-11-26(35)27(36)19-24)29(31(43)47-34(2,3)4)28(20-46-5)39-33(41)45/h2*6,8-11,18-19,22,30H,7,12-17,20H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)
InChIKey JHURWEPWECQAIR-UHFFFAOYSA-N
Mol Weight 1311.5 g/mol
Molecular Formula C68H86F4N10O12
Exact Mass 1310.636281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWjaJchvQbc
Name #31;TERT.-BUTYL-3-[[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL]-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H86F4N10O12
InChI InChI=1S/2C34H43F2N5O6/c2*1-21(42)38-25-9-6-8-23(18-25)22-12-16-40(17-13-22)15-7-14-37-32(44)41-30(24-10-11-26(35)27(36)19-24)29(31(43)47-34(2,3)4)28(20-46-5)39-33(41)45/h2*6,8-11,18-19,22,30H,7,12-17,20H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)
InChIKey JHURWEPWECQAIR-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 1311.484 g/mol
Solvent CDCl3
Source File Reference UWIR9567