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

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

9,10-Bis(2-ethylhexyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide
SpectraBase Compound ID Jw8gm2JdFb4
InChI InChI=1S/C53H69NO6/c1-7-13-17-19-23-37(24-20-18-14-8-2)54-50(55)42-29-25-38-40-27-31-44(52(57)59-33-35(11-5)21-15-9-3)49-45(53(58)60-34-36(12-6)22-16-10-4)32-28-41(47(40)49)39-26-30-43(51(54)56)48(42)46(38)39/h25-32,35-37H,7-24,33-34H2,1-6H3
InChIKey RSFGDVUEMDBPMA-UHFFFAOYSA-N
Mol Weight 816.1 g/mol
Molecular Formula C53H69NO6
Exact Mass 815.512489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5S0KG7N74Gc
Name 9,10-bis(2-Ethylhexyloxycarbonyl)-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 815.512488940 u
Formula C53H69NO6
InChI InChI=1S/C53H69NO6/c1-7-13-17-19-23-37(24-20-18-14-8-2)54-50(55)42-29-25-38-40-27-31-44(52(57)59-33-35(11-5)21-15-9-3)49-45(53(58)60-34-36(12-6)22-16-10-4)32-28-41(47(40)49)39-26-30-43(51(54)56)48(42)46(38)39/h25-32,35-37H,7-24,33-34H2,1-6H3
InChIKey RSFGDVUEMDBPMA-UHFFFAOYSA-N
Molecular Weight 816.136 g/mol
SMILES C1(N(C(C=2C=CC=3C=4C5=C(C(=CC=C5C5=CC=C1C2C35)C(OCC(CC)CCCC)=O)C(=CC4)C(OCC(CC)CCCC)=O)=O)C(CCCCCC)CCCCCC)=O