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

*Links on SpectraBase are not permalinks.

N,N'-Dicyclodecyl-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide

View entire compound with spectra: 1 NMR, and 1 FTIR

N,N'-Dicyclodecyl-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID DMKZlO8EnwT
InChI InChI=1S/C44H46N2O4/c47-41-33-23-19-29-31-21-25-35-40-36(44(50)46(43(35)49)28-17-13-9-5-2-6-10-14-18-28)26-22-32(38(31)40)30-20-24-34(39(33)37(29)30)42(48)45(41)27-15-11-7-3-1-4-8-12-16-27/h19-28H,1-18H2
InChIKey CGEOHRUULGIXDP-UHFFFAOYSA-N
Mol Weight 666.9 g/mol
Molecular Formula C44H46N2O4
Exact Mass 666.345758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 4vZYiAy5lrl
Name N,N'-Dicyclodecyl-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 666.345757965 u
Formula C44H46N2O4
InChI InChI=1S/C44H46N2O4/c47-41-33-23-19-29-31-21-25-35-40-36(44(50)46(43(35)49)28-17-13-9-5-2-6-10-14-18-28)26-22-32(38(31)40)30-20-24-34(39(33)37(29)30)42(48)45(41)27-15-11-7-3-1-4-8-12-16-27/h19-28H,1-18H2
InChIKey CGEOHRUULGIXDP-UHFFFAOYSA-N
Molecular Weight 666.862 g/mol
SMILES C=12C3=C4C(=CC=C3C=3C=5C2=CC=C2C5C(C(N(C2=O)C2CCCCCCCCC2)=O)=CC3)C(N(C(C4=CC1)=O)C1CCCCCCCCC1)=O