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#4;ALPHA-ISOMER;(4Z,9Z,15Z)-2,17-DIETHYL-1,19,23,24-TETRAHYDRO-3,7,13-TRIMETHYL-1,19-DIOXO-18-(TRIFLUOROMETHYL)-21H-BILIN-8,12-DIPROPIONIC-ACID-DIMETHYLESTER

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#4;ALPHA-ISOMER;(4Z,9Z,15Z)-2,17-DIETHYL-1,19,23,24-TETRAHYDRO-3,7,13-TRIMETHYL-1,19-DIOXO-18-(TRIFLUOROMETHYL)-21H-BILIN-8,12-DIPROPIONIC-ACID-DIMETHYLESTER
SpectraBase Compound ID A0MNvD7NBd5
InChI InChI=1S/C35H39F3N4O6/c1-8-20-17(3)26(41-33(20)45)14-24-18(4)22(10-12-30(43)47-6)28(39-24)16-29-23(11-13-31(44)48-7)19(5)25(40-29)15-27-21(9-2)32(34(46)42-27)35(36,37)38/h14-16,40H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b26-14-,27-15-,28-16-
InChIKey GRRYWBGDANSDJV-CDNYDDIFSA-N
Mol Weight 668.7 g/mol
Molecular Formula C35H39F3N4O6
Exact Mass 668.282169 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HUqCorzydJ
Name #4;ALPHA-ISOMER;(4Z,9Z,15Z)-2,17-DIETHYL-1,19,23,24-TETRAHYDRO-3,7,13-TRIMETHYL-1,19-DIOXO-18-(TRIFLUOROMETHYL)-21H-BILIN-8,12-DIPROPIONIC-ACID-DIMETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H39F3N4O6
InChI InChI=1S/C35H39F3N4O6/c1-8-20-17(3)26(41-33(20)45)14-24-18(4)22(10-12-30(43)47-6)28(39-24)16-29-23(11-13-31(44)48-7)19(5)25(40-29)15-27-21(9-2)32(34(46)42-27)35(36,37)38/h14-16,40H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b26-14-,27-15-,28-16-
InChIKey GRRYWBGDANSDJV-CDNYDDIFSA-N
Literature Reference Author J.CRUSATS,A.SUZUKI,T.MIZUTANI,H.OGOSHI
Literature Reference Citation J.ORG.CHEM.,63,602(1998)
Literature Reference DOI 10.1021/jo9714728
Solvent CDCl3
Source File Reference UWVN33278