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

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#5;BETA-ISOMER;(4Z,9Z,15Z)-2,7-DIETHYL-1,19,23,24-TETRAHYDRO-8,12,18-TRIMETHYL-1,19-DIOXO-3-(TRIFLUOROMETHYL)-21H-BILIN-13,17-DIPROPIONIC-ACID-DIMETHYLESTER
SpectraBase Compound ID G11aSfUDwG
InChI InChI=1S/C35H39F3N4O6/c1-8-20-17(3)24(39-26(20)16-29-32(35(36,37)38)21(9-2)34(46)42-29)14-25-18(4)22(10-12-30(43)47-6)27(40-25)15-28-23(11-13-31(44)48-7)19(5)33(45)41-28/h14-16,40H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b24-14-,28-15-,29-16-
InChIKey DNHZNWAMZCHFNT-CIFLKKFXSA-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 LkwjiRZdAB3
Name #5;BETA-ISOMER;(4Z,9Z,15Z)-2,7-DIETHYL-1,19,23,24-TETRAHYDRO-8,12,18-TRIMETHYL-1,19-DIOXO-3-(TRIFLUOROMETHYL)-21H-BILIN-13,17-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)24(39-26(20)16-29-32(35(36,37)38)21(9-2)34(46)42-29)14-25-18(4)22(10-12-30(43)47-6)27(40-25)15-28-23(11-13-31(44)48-7)19(5)33(45)41-28/h14-16,40H,8-13H2,1-7H3,(H,41,45)(H,42,46)/b24-14-,28-15-,29-16-
InChIKey DNHZNWAMZCHFNT-CIFLKKFXSA-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 UWVN33279