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(RAC)-(CIS)-1-BENZYL-3-TERT.-BUTYL-5-ALLYL-4-OXO-2-PHENYL-DIHYDROPYRIMIDINE-1,3(2H,4H)-DICARBOXYLATE
SpectraBase Compound ID KO74Sfhk3W7
InChI InChI=1S/2C26H30N2O5/c2*1-5-12-21-17-27(24(30)32-18-19-13-8-6-9-14-19)22(20-15-10-7-11-16-20)28(23(21)29)25(31)33-26(2,3)4/h2*5-11,13-16,21-22H,1,12,17-18H2,2-4H3/t2*21-,22+/m11/s1
InChIKey OQGCXSAIHVFVFO-LLTDVBHQSA-N
Mol Weight 901.07 g/mol
Molecular Formula C52H60N4O10
Exact Mass 900.430944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2X8AtfznMpO
Name (RAC)-(CIS)-1-BENZYL-3-TERT.-BUTYL-5-ALLYL-4-OXO-2-PHENYL-DIHYDROPYRIMIDINE-1,3(2H,4H)-DICARBOXYLATE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H60N4O10
InChI InChI=1S/2C26H30N2O5/c2*1-5-12-21-17-27(24(30)32-18-19-13-8-6-9-14-19)22(20-15-10-7-11-16-20)28(23(21)29)25(31)33-26(2,3)4/h2*5-11,13-16,21-22H,1,12,17-18H2,2-4H3/t2*21-,22+/m11/s1
InChIKey OQGCXSAIHVFVFO-LLTDVBHQSA-N
Literature Reference Author M.NAHEWOLD,A.STONCIUS,A.PENNER,B.NEUMANN,H.G.STAMMLER,N.SEWA LD
Literature Reference Citation BEIL.J.ORG.CHEM.,5,43,1(2009)
Molecular Weight 901.069 g/mol
Solvent CDCl3
Source File Reference UWBT10456