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(+)-4,4'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-DINITRILO)-3,3,3',3'-TETRAMETHYL-4,4'-[(2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-11H-DIPYRRIN-1,9-DIYLIDEN)-DIN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-4,4'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-DINITRILO)-3,3,3',3'-TETRAMETHYL-4,4'-[(2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-11H-DIPYRRIN-1,9-DIYLIDEN)-DIN
SpectraBase Compound ID 38G0b1R0gWI
InChI InChI=1S/C39H62N6O4/c1-15-48-28(46)22-34(3,4)30-40-24-19-17-18-20-25(24)41-31(35(5,6)23-29(47)49-16-2)45-33-39(13,14)37(9,10)27(43-33)21-26-36(7,8)38(11,12)32(42-26)44-30/h21,24-25H,15-20,22-23H2,1-14H3,(H,40,42,44)/b26-21-,41-31+,45-33-/t24-,25-/m1/s1
InChIKey QYQDQVCXWBZFEF-FKLZXMAZSA-N
Mol Weight 679.0 g/mol
Molecular Formula C39H62N6O4
Exact Mass 678.483254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK3fhQseMz
Name Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H62N6O4
InChI InChI=1S/C39H62N6O4/c1-15-48-28(46)22-34(3,4)30-40-24-19-17-18-20-25(24)41-31(35(5,6)23-29(47)49-16-2)45-33-39(13,14)37(9,10)27(43-33)21-26-36(7,8)38(11,12)32(42-26)44-30/h21,24-25H,15-20,22-23H2,1-14H3,(H,40,42,44)/b26-21-,41-31+,45-33-/t24-,25-/m1/s1
InChIKey QYQDQVCXWBZFEF-FKLZXMAZSA-N
Molecular Weight 678.963 g/mol
SMILES N1\C2=C/C3=N\C(=N/C(=N/[C@]4([C@](\N=C/(\N=C/1C(C2(C)C)(C)C)C(CC(=O)OCC)(C)C)(CCCC4)[H])[H])C(CC(=O)OCC)(C)C)C(C3(C)C)(C)C
SPLASH splash10-016s-0478079000-879d7d88107f8dd0682f
Source of Spectrum H-76-369-0
Synonyms Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2'',3'',7'',8''-tetrahydro-2'',2'',3'',3'',7'',7'',8',8'-octamethyl-11''h-dipyrrin-1'',9''-diylidene)-dinitrilo]-bis[butanoate] Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2'',3'',7'',8''-tetrahydro-2'',2'',3'',3'',7'',7'',8',8'-octamethyl-11''H-dipyrrin-1'',9''-diylidene)-dinitrilo]-bis[butanoate] Ethyl 3-[(10R,15R)-17-(3-ethoxy-1,1-dimethyl-3-oxopropyl)-4,4,5,5,20,20,21,21-octamethyl-7,9,16,18,22,23-hexaazatetracyclo[17.2.1.1(3,6).0(10,15)]tricosa-1(22),2,6,8,16,18-hexaen-8-yl]-3-methylbutanoate
Wiley ID 1414273