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N-(1-Hexylheptyl)-N'-(2-ethoxycarbonyl-2-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID 6i3nvkjyN5M
InChI InChI=1S/C53H46N2O7/c1-3-5-7-9-13-31(14-10-8-6-4-2)55-51(59)41-25-21-36-34-19-23-39-46-40(24-20-35(44(34)46)37-22-26-42(52(55)60)47(41)45(36)37)50(58)54(49(39)57)27-28-62-53(61)30-17-18-33-32-15-11-12-16-38(32)48(56)43(33)29-30/h11-12,15-26,29,31H,3-10,13-14,27-28H2,1-2H3
InChIKey YPZHYRYUEQUQGQ-UHFFFAOYSA-N
Mol Weight 823.0 g/mol
Molecular Formula C53H46N2O7
Exact Mass 822.330502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIq9eBBhpsb
Name N-(1-Hexylheptyl)-N'-(2-ethoxycarbonyl-2-fluorene-9-onyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H46N2O7
InChI InChI=1S/C53H46N2O7/c1-3-5-7-9-13-31(14-10-8-6-4-2)55-51(59)41-25-21-36-34-19-23-39-46-40(24-20-35(44(34)46)37-22-26-42(52(55)60)47(41)45(36)37)50(58)54(49(39)57)27-28-62-53(61)30-17-18-33-32-15-11-12-16-38(32)48(56)43(33)29-30/h11-12,15-26,29,31H,3-10,13-14,27-28H2,1-2H3
InChIKey YPZHYRYUEQUQGQ-UHFFFAOYSA-N
Molecular Weight 822.958 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3C(N(C(c5c3c1c(c4cc2)cc5)=O)CCOC(c1cc2C(c3ccccc3-c2cc1)=O)=O)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0a4l-0293504010-517c9959a0aeee277c16
Source of Spectrum QF-8-5637-16
Wiley ID 1558129