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[3-(2',3'-DICHLORO)-CINNAMAMIDO-OLEAN-12-EN-28-YL]-[4-(2',3'-DICHLORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
SpectraBase Compound ID 11d9Njq9qkK
InChI InChI=1S/C52H65Cl4N3O3/c1-47(2)24-26-52(46(62)59-30-28-58(29-31-59)43(61)19-15-34-11-9-13-38(54)45(34)56)27-25-50(6)35(36(52)32-47)16-17-40-49(5)22-21-41(48(3,4)39(49)20-23-51(40,50)7)57-42(60)18-14-33-10-8-12-37(53)44(33)55/h8-16,18-19,36,39-41H,17,20-32H2,1-7H3,(H,57,60)/b18-14+,19-15+/t36-,39-,40+,41-,49-,50+,51+,52-/m0/s1
InChIKey KDVLQWDBUZARTM-QWMWZMBVSA-N
Mol Weight 921.9 g/mol
Molecular Formula C52H65Cl4N3O3
Exact Mass 919.378004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9T5TLPgfxSe
Name [3-(2',3'-DICHLORO)-CINNAMAMIDO-OLEAN-12-EN-28-YL]-[4-(2',3'-DICHLORO)-CINNAMAMIDO-PIPERAZIN-1-YL]-METHANONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H65Cl4N3O3
InChI InChI=1S/C52H65Cl4N3O3/c1-47(2)24-26-52(46(62)59-30-28-58(29-31-59)43(61)19-15-34-11-9-13-38(54)45(34)56)27-25-50(6)35(36(52)32-47)16-17-40-49(5)22-21-41(48(3,4)39(49)20-23-51(40,50)7)57-42(60)18-14-33-10-8-12-37(53)44(33)55/h8-16,18-19,36,39-41H,17,20-32H2,1-7H3,(H,57,60)/b18-14+,19-15+/t36-,39-,40+,41-,49-,50+,51+,52-/m0/s1
InChIKey KDVLQWDBUZARTM-QWMWZMBVSA-N
Literature Reference Author W.NIE,J.G.LUO,X.B.WANG,H.YIN,H.B.SUN,H.Q.YAO,L.Y.KONG
Literature Reference Citation CHEM.PHARM.BULL.,59,1051(2011)
Literature Reference DOI 10.1248/cpb.59.1051
Molecular Weight 921.918 g/mol
Source File Reference UWIR3512