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9-(1'-Hexylheptyl)-2-[2'-hexadecyl-2'-(hydroxymethyl)octadecyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone

View entire compound with spectra: 1 MS (GC)

9-(1'-Hexylheptyl)-2-[2'-hexadecyl-2'-(hydroxymethyl)octadecyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
SpectraBase Compound ID Im0cGILblYI
InChI InChI=1S/C72H106N2O5/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-41-53-72(54-75,52-40-36-34-32-30-28-26-24-22-20-18-14-10-6-2)74-70(78)62-50-46-58-56-44-48-60-66-61(49-45-57(64(56)66)59-47-51-63(71(74)79)67(62)65(58)59)69(77)73(68(60)76)55(42-38-15-11-7-3)43-39-16-12-8-4/h44-51,55,75H,5-43,52-54H2,1-4H3
InChIKey BCEBFMNWBQULDC-UHFFFAOYSA-N
Mol Weight 1079.6 g/mol
Molecular Formula C72H106N2O5
Exact Mass 1078.810175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cl2NU8ktXV8
Name 9-(1'-Hexylheptyl)-2-[2'-hexadecyl-2'-(hydroxymethyl)octadecyl]-anthra[2,1,9-def : 6,5,10-d'e'f']disiquinoline-1,3,8,10-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H106N2O5
InChI InChI=1S/C72H106N2O5/c1-5-9-13-17-19-21-23-25-27-29-31-33-35-37-41-53-72(54-75,52-40-36-34-32-30-28-26-24-22-20-18-14-10-6-2)74-70(78)62-50-46-58-56-44-48-60-66-61(49-45-57(64(56)66)59-47-51-63(71(74)79)67(62)65(58)59)69(77)73(68(60)76)55(42-38-15-11-7-3)43-39-16-12-8-4/h44-51,55,75H,5-43,52-54H2,1-4H3
InChIKey BCEBFMNWBQULDC-UHFFFAOYSA-N
Molecular Weight 1079.649 g/mol
SMILES OCC(N1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(CCCCCC)CCCCCC)C(c4cc1)=O)=O)ccc32)=O)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
SPLASH splash10-0f6x-5009410000-a4832a6b81aba071d5c5
Source of Spectrum H-2005-4318-3
Wiley ID 1587826