For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N,N'-bis(1-pentylhexyl)-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-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) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6qLyCEXfiaj
Name N,N'-bis(1-pentylhexyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
Copyright Copyright © 2009-2024 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 Varian CFT-20
Sadtler NMR Number 52590M
Solvent CDCl3