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N-(1-Hexylheptyl)-N'-(1-anthracenyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID GWZWzzXeFkG
InChI InChI=1S/C51H44N2O4/c1-3-5-7-9-17-33(18-10-8-6-4-2)52-48(54)38-24-20-34-36-22-26-40-47-41(27-23-37(45(36)47)35-21-25-39(49(52)55)46(38)44(34)35)51(57)53(50(40)56)43-19-13-16-32-28-30-14-11-12-15-31(30)29-42(32)43/h11-16,19-29,33H,3-10,17-18H2,1-2H3
InChIKey XTVQZQGGBPANOW-UHFFFAOYSA-N
Mol Weight 748.9 g/mol
Molecular Formula C51H44N2O4
Exact Mass 748.330108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3pGTSpKSLm
Name N-(1-Hexylheptyl)-N'-(1-anthracenyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-(1-anthryl)-9-(1-hexylheptyl)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 C51H44N2O4
InChI InChI=1S/C51H44N2O4/c1-3-5-7-9-17-33(18-10-8-6-4-2)52-48(54)38-24-20-34-36-22-26-40-47-41(27-23-37(45(36)47)35-21-25-39(49(52)55)46(38)44(34)35)51(57)53(50(40)56)43-19-13-16-32-28-30-14-11-12-15-31(30)29-42(32)43/h11-16,19-29,33H,3-10,17-18H2,1-2H3
InChIKey XTVQZQGGBPANOW-UHFFFAOYSA-N
Molecular Weight 748.923 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6c7c5c(c4ccc13)ccc7C(N(C6=O)C(CCCCCC)CCCCCC)=O)cc2)=O)c1c2cc3ccccc3cc2ccc1)=O
SPLASH splash10-014j-0002090700-014e61a225e98014f667
Source of Spectrum QF-8-5640-9
Wiley ID 1558121