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

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

N,N'-Bis(2-(1-propylbutyl)-3-propylhexyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID JWG5Ouhen4G
InChI InChI=1S/C56H74N2O4/c1-9-17-35(18-10-2)47(36(19-11-3)20-12-4)33-57-53(59)43-29-25-39-41-27-31-45-52-46(32-28-42(50(41)52)40-26-30-44(54(57)60)51(43)49(39)40)56(62)58(55(45)61)34-48(37(21-13-5)22-14-6)38(23-15-7)24-16-8/h25-32,35-38,47-48H,9-24,33-34H2,1-8H3
InChIKey HAJHATVWCFJOPD-UHFFFAOYSA-N
Mol Weight 839.2 g/mol
Molecular Formula C56H74N2O4
Exact Mass 838.564859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPWF8F0x5sd
Name N,N'-bis(2-(1-Propylbutyl)-3-propylhexyl)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 838.564858867 u
Formula C56H74N2O4
InChI InChI=1S/C56H74N2O4/c1-9-17-35(18-10-2)47(36(19-11-3)20-12-4)33-57-53(59)43-29-25-39-41-27-31-45-52-46(32-28-42(50(41)52)40-26-30-44(54(57)60)51(43)49(39)40)56(62)58(55(45)61)34-48(37(21-13-5)22-14-6)38(23-15-7)24-16-8/h25-32,35-38,47-48H,9-24,33-34H2,1-8H3
InChIKey HAJHATVWCFJOPD-UHFFFAOYSA-N
Molecular Weight 839.218 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(CCC)CCC)C(CCC)CCC)=O)=O)CC(C(CCC)CCC)C(CCC)CCC)=O