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N-(1-Hexylheptyl)-N'-(methyl-2-anthraquinoyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID EyOnVBsWLca
InChI InChI=1S/C52H44N2O6/c1-3-5-7-9-13-30(14-10-8-6-4-2)54-51(59)40-25-21-33-31-19-23-38-45-39(24-20-32(43(31)45)34-22-26-41(52(54)60)46(40)44(33)34)50(58)53(49(38)57)28-29-17-18-37-42(27-29)48(56)36-16-12-11-15-35(36)47(37)55/h11-12,15-27,30H,3-10,13-14,28H2,1-2H3
InChIKey PRQHSYXRSLHHIX-UHFFFAOYSA-N
Mol Weight 792.9 g/mol
Molecular Formula C52H44N2O6
Exact Mass 792.319937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRmVxiwFKqB
Name N-(1-Hexylheptyl)-N'-(methyl-2-anthraquinoyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H44N2O6
InChI InChI=1S/C52H44N2O6/c1-3-5-7-9-13-30(14-10-8-6-4-2)54-51(59)40-25-21-33-31-19-23-38-45-39(24-20-32(43(31)45)34-22-26-41(52(54)60)46(40)44(33)34)50(58)53(49(38)57)28-29-17-18-37-42(27-29)48(56)36-16-12-11-15-35(36)47(37)55/h11-12,15-27,30H,3-10,13-14,28H2,1-2H3
InChIKey PRQHSYXRSLHHIX-UHFFFAOYSA-N
Molecular Weight 792.932 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1c3c5c(C(N(C(c5ccc3c4cc2)=O)C(CCCCCC)CCCCCC)=O)cc1)=O)Cc1cc2C(c3ccccc3C(c2cc1)=O)=O)=O
SPLASH splash10-03di-0002009200-0b88eff7934b69ec857d
Source of Spectrum QF-8-5643-10
Wiley ID 1558108