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2-Allyl-9-(1'-hexylheptyl)anthra[2,1,9-def : 6,5,10-d',e',f']disoquinoline-1,3,8,1o-tetraone
SpectraBase Compound ID 9yVgZffEIg1
InChI InChI=1S/C40H40N2O4/c1-4-7-9-11-13-24(14-12-10-8-5-2)42-39(45)31-21-17-27-25-15-19-29-35-30(38(44)41(23-6-3)37(29)43)20-16-26(33(25)35)28-18-22-32(40(42)46)36(31)34(27)28/h6,15-22,24H,3-5,7-14,23H2,1-2H3
InChIKey SCMIXPDLKJCGFB-UHFFFAOYSA-N
Mol Weight 612.8 g/mol
Molecular Formula C40H40N2O4
Exact Mass 612.298808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8xyKdeDwZJ
Name 2-Allyl-9-(1'-hexylheptyl)anthra[2,1,9-def : 6,5,10-d',e',f']disoquinoline-1,3,8,1o-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40N2O4
InChI InChI=1S/C40H40N2O4/c1-4-7-9-11-13-24(14-12-10-8-5-2)42-39(45)31-21-17-27-25-15-19-29-35-30(38(44)41(23-6-3)37(29)43)20-16-26(33(25)35)28-18-22-32(40(42)46)36(31)34(27)28/h6,15-22,24H,3-5,7-14,23H2,1-2H3
InChIKey SCMIXPDLKJCGFB-UHFFFAOYSA-N
Molecular Weight 612.770 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6c7c5c(c4ccc13)ccc7C(N(C6=O)CC=C)=O)cc2)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-02ai-0000903000-af91dbc74cffed65aca7
Source of Spectrum QE-15-4795-3
Wiley ID 1692878