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N,N'-Bis(2-(1-butylpentyl)-3-butylheptyl)perylene-3,4:9,10-bis(dicarboximide)

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

N,N'-Bis(2-(1-butylpentyl)-3-butylheptyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID GBdZ7lLce5t
InChI InChI=1S/C64H90N2O4/c1-9-17-25-43(26-18-10-2)55(44(27-19-11-3)28-20-12-4)41-65-61(67)51-37-33-47-49-35-39-53-60-54(40-36-50(58(49)60)48-34-38-52(62(65)68)59(51)57(47)48)64(70)66(63(53)69)42-56(45(29-21-13-5)30-22-14-6)46(31-23-15-7)32-24-16-8/h33-40,43-46,55-56H,9-32,41-42H2,1-8H3
InChIKey JHQWOXNEYQLINR-UHFFFAOYSA-N
Mol Weight 951.4 g/mol
Molecular Formula C64H90N2O4
Exact Mass 950.690059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtU0bQhURgT
Name N,N'-bis(2-(1-Butylpentyl)-3-butylheptyl)perylene-3,4:9,10-bis(dicarboximide)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 950.690059382 u
Formula C64H90N2O4
InChI InChI=1S/C64H90N2O4/c1-9-17-25-43(26-18-10-2)55(44(27-19-11-3)28-20-12-4)41-65-61(67)51-37-33-47-49-35-39-53-60-54(40-36-50(58(49)60)48-34-38-52(62(65)68)59(51)57(47)48)64(70)66(63(53)69)42-56(45(29-21-13-5)30-22-14-6)46(31-23-15-7)32-24-16-8/h33-40,43-46,55-56H,9-32,41-42H2,1-8H3
InChIKey JHQWOXNEYQLINR-UHFFFAOYSA-N
Molecular Weight 951.434 g/mol
SMILES C1(N(C(C=2C=3C4=C(C=CC13)C1=CC=C3C5=C1C(C4=CC2)=CC=C5C(N(C3=O)CC(C(CCCC)CCCC)C(CCCC)CCCC)=O)=O)CC(C(CCCC)CCCC)C(CCCC)CCCC)=O