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

*Links on SpectraBase are not permalinks.

9,10-Bis(2-butyloctyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide

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

9,10-Bis(2-butyloctyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide
SpectraBase Compound ID J200OfW7Ecx
InChI InChI=1S/C61H85NO6/c1-7-13-19-23-29-43(27-17-11-5)41-67-60(65)52-39-35-48-46-33-37-50-56-51(59(64)62(58(50)63)45(31-25-21-15-9-3)32-26-22-16-10-4)38-34-47(54(46)56)49-36-40-53(57(52)55(48)49)61(66)68-42-44(28-18-12-6)30-24-20-14-8-2/h33-40,43-45H,7-32,41-42H2,1-6H3
InChIKey OQRILIWCSFULNF-UHFFFAOYSA-N
Mol Weight 928.4 g/mol
Molecular Formula C61H85NO6
Exact Mass 927.637689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5y53HI5yfKd
Name 9,10-bis(2-Butyloctyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 927.637689455 u
Formula C61H85NO6
InChI InChI=1S/C61H85NO6/c1-7-13-19-23-29-43(27-17-11-5)41-67-60(65)52-39-35-48-46-33-37-50-56-51(59(64)62(58(50)63)45(31-25-21-15-9-3)32-26-22-16-10-4)38-34-47(54(46)56)49-36-40-53(57(52)55(48)49)61(66)68-42-44(28-18-12-6)30-24-20-14-8-2/h33-40,43-45H,7-32,41-42H2,1-6H3
InChIKey OQRILIWCSFULNF-UHFFFAOYSA-N
Molecular Weight 928.352 g/mol
SMILES C1(N(C(C=2C=CC=3C=4C5=C(C(=CC=C5C5=CC=C1C2C35)C(OCC(CCCC)CCCCCC)=O)C(=CC4)C(OCC(CCCCCC)CCCC)=O)=O)C(CCCCCC)CCCCCC)=O