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2-[1'-Heptyl-2'-(1H-imidazol-1''-yl)octyl]-9-(1"'-heptyloctyl)-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone

View entire compound with spectra: 1 MS (GC)

2-[1'-Heptyl-2'-(1H-imidazol-1''-yl)octyl]-9-(1"'-heptyloctyl)-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
SpectraBase Compound ID 26GDipRDjaQ
InChI InChI=1S/C57H72N4O4/c1-5-9-13-17-20-24-39(25-21-18-14-10-6-2)60-54(62)44-32-28-40-42-30-34-46-53-47(35-31-43(51(42)53)41-29-33-45(55(60)63)52(44)50(40)41)57(65)61(56(46)64)49(27-23-19-15-11-7-3)48(26-22-16-12-8-4)59-37-36-58-38-59/h28-39,48-49H,5-27H2,1-4H3
InChIKey HHPWJXVXAXIGAG-UHFFFAOYSA-N
Mol Weight 877.2 g/mol
Molecular Formula C57H72N4O4
Exact Mass 876.555357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MF5q0jXNxv
Name 2-[1'-Heptyl-2'-(1H-imidazol-1''-yl)octyl]-9-(1"'-heptyloctyl)-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H72N4O4
InChI InChI=1S/C57H72N4O4/c1-5-9-13-17-20-24-39(25-21-18-14-10-6-2)60-54(62)44-32-28-40-42-30-34-46-53-47(35-31-43(51(42)53)41-29-33-45(55(60)63)52(44)50(40)41)57(65)61(56(46)64)49(27-23-19-15-11-7-3)48(26-22-16-12-8-4)59-37-36-58-38-59/h28-39,48-49H,5-27H2,1-4H3
InChIKey HHPWJXVXAXIGAG-UHFFFAOYSA-N
Molecular Weight 877.227 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C(CCCCCCC)CCCCCCC)=O)=O)C(C([n]1cncc1)CCCCCC)CCCCCCC)=O
SPLASH splash10-0f6x-1008009130-7b277cdb6b299f7685a9
Source of Spectrum C-88-2836-3
Wiley ID 1590438