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N-(1-Hexylheptyl)-N'-(4-(4'-hydroxybiphenyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID 2I8CagEYWp4
InChI InChI=1S/C49H44N2O5/c1-3-5-7-9-11-31(12-10-8-6-4-2)50-46(53)38-25-21-34-36-23-27-40-45-41(28-24-37(43(36)45)35-22-26-39(47(50)54)44(38)42(34)35)49(56)51(48(40)55)32-17-13-29(14-18-32)30-15-19-33(52)20-16-30/h13-28,31,52H,3-12H2,1-2H3
InChIKey NONPTACORXNCEG-UHFFFAOYSA-N
Mol Weight 740.9 g/mol
Molecular Formula C49H44N2O5
Exact Mass 740.325023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdBLMcNMejQ
Name N-(1-Hexylheptyl)-N'-(4-(4'-hydroxybiphenyl)perylene-3,4:9,10-tetracarboxylic bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H44N2O5
InChI InChI=1S/C49H44N2O5/c1-3-5-7-9-11-31(12-10-8-6-4-2)50-46(53)38-25-21-34-36-23-27-40-45-41(28-24-37(43(36)45)35-22-26-39(47(50)54)44(38)42(34)35)49(56)51(48(40)55)32-17-13-29(14-18-32)30-15-19-33(52)20-16-30/h13-28,31,52H,3-12H2,1-2H3
InChIKey NONPTACORXNCEG-UHFFFAOYSA-N
Molecular Weight 740.900 g/mol
SMILES Oc1ccc(-c2ccc(N3C(c4ccc5c6ccc7C(=O)N(C(c8ccc(c6c78)c6ccc(C3=O)c4c56)=O)C(CCCCCC)CCCCCC)=O)cc2)cc1
SPLASH splash10-0a4i-0000090100-56712d65a662a8ef39ee
Source of Spectrum QF-8-5636-5
Wiley ID 1558134