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9-(Heptyloctyl)-2-(2'-hydroxyethyl)]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
SpectraBase Compound ID Dv8DGoVAvxG
InChI InChI=1S/C41H44N2O5/c1-3-5-7-9-11-13-25(14-12-10-8-6-4-2)43-40(47)32-21-17-28-26-15-19-30-36-31(39(46)42(23-24-44)38(30)45)20-16-27(34(26)36)29-18-22-33(41(43)48)37(32)35(28)29/h15-22,25,44H,3-14,23-24H2,1-2H3
InChIKey UKHPLHZYJZRLAR-UHFFFAOYSA-N
Mol Weight 644.8 g/mol
Molecular Formula C41H44N2O5
Exact Mass 644.325023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGV1Quq8FsE
Name 9-(Heptyloctyl)-2-(2'-hydroxyethyl)]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
Alternate Name(s) N-(1-Heptyloctyl)-N'-(2-hydroxyethyl)perylene-3,4:9,10-tetracarboxylic diimide 2-(1-heptyloctyl)-9-(2-hydroxyethyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
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Formula C41H44N2O5
InChI InChI=1S/C41H44N2O5/c1-3-5-7-9-11-13-25(14-12-10-8-6-4-2)43-40(47)32-21-17-28-26-15-19-30-36-31(39(46)42(23-24-44)38(30)45)20-16-27(34(26)36)29-18-22-33(41(43)48)37(32)35(28)29/h15-22,25,44H,3-14,23-24H2,1-2H3
InChIKey UKHPLHZYJZRLAR-UHFFFAOYSA-N
Molecular Weight 644.812 g/mol
SMILES OCCN1C(c2c3c4c(c5ccc6C(N(C(c7ccc(c5c67)c4cc2)=O)C(CCCCCCC)CCCCCCC)=O)ccc3C1=O)=O
SPLASH splash10-0006-0009402000-a957d941d9209ee1166e
Source of Spectrum QF-8-5635-8
Wiley ID 1558138