For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

#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

View entire compound with spectra: 2 NMR

#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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3aDbscNwEE2
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.282169475 u
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
Molecular Weight 668.714 g/mol
SMILES C=1(NC(=C(C1CCC(=O)OC)C)\C=C\1C(=C(C(=N1)\C=C\1C(=C(C(=O)N1)CC)C(F)(F)F)CC)C)\C=C\1C(=C(C(=O)N1)C)CCC(=O)OC