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N,N'-bis(1-hexylheptyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

N,N'-bis(1-hexylheptyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID C7LvyVlA23o
InChI InChI=1S/C50H62N2O4/c1-5-9-13-17-21-33(22-18-14-10-6-2)51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey NJEZHCHNQGICLU-UHFFFAOYSA-N
Mol Weight 755.1 g/mol
Molecular Formula C50H62N2O4
Exact Mass 754.470958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpU3YOqjmNt
Name N,N'-BIS(1-HEXYLHEPTYL)-3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIIMIDE
Source of Sample H. Langhals, University of Munich, Munich, Germany
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H62N2O4
InChI InChI=1S/C50H62N2O4/c1-5-9-13-17-21-33(22-18-14-10-6-2)51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey NJEZHCHNQGICLU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 157-158C
Molecular Weight 755.06
Solvent CDCl3; Reference=TMS; Temperature 297K