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

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N,N'-bis(1-pentylhexyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID DeBUcmFgI8h
InChI InChI=1S/C46H54N2O4/c1-5-9-13-17-29(18-14-10-6-2)47-43(49)35-25-21-31-33-23-27-37-42-38(46(52)48(45(37)51)30(19-15-11-7-3)20-16-12-8-4)28-24-34(40(33)42)32-22-26-36(44(47)50)41(35)39(31)32/h21-30H,5-20H2,1-4H3
InChIKey LDPJUNKPABDVFQ-UHFFFAOYSA-N
Mol Weight 698.9 g/mol
Molecular Formula C46H54N2O4
Exact Mass 698.408358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Kh9SAg9eko
Name N,N'-BIS(1-PENTYLHEXYL)-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 C46H54N2O4
InChI InChI=1S/C46H54N2O4/c1-5-9-13-17-29(18-14-10-6-2)47-43(49)35-25-21-31-33-23-27-37-42-38(46(52)48(45(37)51)30(19-15-11-7-3)20-16-12-8-4)28-24-34(40(33)42)32-22-26-36(44(47)50)41(35)39(31)32/h21-30H,5-20H2,1-4H3
InChIKey LDPJUNKPABDVFQ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 183-184C
Molecular Weight 698.95
Solvent CDCl3; Reference=TMS; Temperature 297K