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10-Heptyl-2-(1'-heptyloctyl)-11-hexyl-10,111-dihydroimidazo[2,1-a]anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8(2H)-trione

View entire compound with spectra: 1 MS (GC)

10-Heptyl-2-(1'-heptyloctyl)-11-hexyl-10,111-dihydroimidazo[2,1-a]anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8(2H)-trione
SpectraBase Compound ID 7veGL0LicCh
InChI InChI=1S/C54H69N3O3/c1-5-9-13-17-20-24-36(25-21-18-14-10-6-2)56-52(58)43-34-30-39-37-28-32-41-49-42(33-29-38(47(37)49)40-31-35-44(53(56)59)50(43)48(39)40)54(60)57-46(27-23-19-15-11-7-3)45(55-51(41)57)26-22-16-12-8-4/h28-36,45-46H,5-27H2,1-4H3
InChIKey RTXHYDQUIFNOKU-UHFFFAOYSA-N
Mol Weight 808.2 g/mol
Molecular Formula C54H69N3O3
Exact Mass 807.533893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGAAZmG7dTZ
Name 10-Heptyl-2-(1'-heptyloctyl)-11-hexyl-10,111-dihydroimidazo[2,1-a]anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8(2H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H69N3O3
InChI InChI=1S/C54H69N3O3/c1-5-9-13-17-20-24-36(25-21-18-14-10-6-2)56-52(58)43-34-30-39-37-28-32-41-49-42(33-29-38(47(37)49)40-31-35-44(53(56)59)50(43)48(39)40)54(60)57-46(27-23-19-15-11-7-3)45(55-51(41)57)26-22-16-12-8-4/h28-36,45-46H,5-27H2,1-4H3
InChIKey RTXHYDQUIFNOKU-UHFFFAOYSA-N
Molecular Weight 808.164 g/mol
SMILES C1=2N(C(C(N2)CCCCCC)CCCCCCC)C(c2c3c4c(ccc13)c1ccc3C(N(C(c5c3c1c(c4cc2)cc5)=O)C(CCCCCCC)CCCCCCC)=O)=O
SPLASH splash10-05fu-9001001710-3ab8b792444e932387bd
Source of Spectrum C-88-2837-5
Wiley ID 1590436