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N-(1-Hexylheptyl)-N'-(9'-anthracenylmethyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID 9EXZZKsXYIF
InChI InChI=1S/C52H46N2O4/c1-3-5-7-9-17-33(18-10-8-6-4-2)54-51(57)42-27-23-38-36-21-25-40-47-41(26-22-37(45(36)47)39-24-28-43(52(54)58)48(42)46(38)39)50(56)53(49(40)55)30-44-34-19-13-11-15-31(34)29-32-16-12-14-20-35(32)44/h11-16,19-29,33H,3-10,17-18,30H2,1-2H3
InChIKey WMMPNVIJHSAIOD-UHFFFAOYSA-N
Mol Weight 762.9 g/mol
Molecular Formula C52H46N2O4
Exact Mass 762.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID um3PMMG2Re
Name N-(1-Hexylheptyl)-N'-(9'-anthracenylmethyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-(9-anthrylmethyl)-9-(1-hexylheptyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone N-(1-Hexylheptyl)-N'-(methyl-9'-anthracenyl)perylene-3,4:9,10-tetracarboxylic bisimide
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Formula C52H46N2O4
InChI InChI=1S/C52H46N2O4/c1-3-5-7-9-17-33(18-10-8-6-4-2)54-51(57)42-27-23-38-36-21-25-40-47-41(26-22-37(45(36)47)39-24-28-43(52(54)58)48(42)46(38)39)50(56)53(49(40)55)30-44-34-19-13-11-15-31(34)29-32-16-12-14-20-35(32)44/h11-16,19-29,33H,3-10,17-18,30H2,1-2H3
InChIKey WMMPNVIJHSAIOD-UHFFFAOYSA-N
Molecular Weight 762.950 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCC)CCCCCC)=O)=O)Cc1c2c(cccc2)cc2c1cccc2)=O
SPLASH splash10-01ox-0702020900-36628f25b8d5e629b099
Source of Spectrum QF-8-5643-10
Wiley ID 1558109