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N-(1-Octylnonyl)perylene-3,4,9,10-tetracarboxylic acid - 3,4-anhydride - 9,10-imide
SpectraBase Compound ID FvhZzdXnxoP
InChI InChI=1S/C41H43NO5/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)42-38(43)30-21-17-26-28-19-23-32-37-33(41(46)47-40(32)45)24-20-29(35(28)37)27-18-22-31(39(42)44)36(30)34(26)27/h17-25H,3-16H2,1-2H3
InChIKey DZGSDEAWYRQPPD-UHFFFAOYSA-N
Mol Weight 629.8 g/mol
Molecular Formula C41H43NO5
Exact Mass 629.314123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUu6Z3jRV6f
Name N-(1-Octylnonyl)perylene-3,4,9,10-tetracarboxylic acid - 3,4-anhydride - 9,10-imide
Alternate Name(s) 9-(1-octylnonyl)-1H-[2]benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
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Formula C41H43NO5
InChI InChI=1S/C41H43NO5/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)42-38(43)30-21-17-26-28-19-23-32-37-33(41(46)47-40(32)45)24-20-29(35(28)37)27-18-22-31(39(42)44)36(30)34(26)27/h17-25H,3-16H2,1-2H3
InChIKey DZGSDEAWYRQPPD-UHFFFAOYSA-N
Molecular Weight 629.797 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(OC3=O)=O)=O)C(CCCCCCCC)CCCCCCCC)=O
SPLASH splash10-0006-0009002000-dfc5fff11a5ba7cc664a
Source of Spectrum U-1995-483-5
Wiley ID 766644