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N-[2,5-di(t-Butylphenyl)perylene]-3,4-dicarboximide

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N-[2,5-di(t-Butylphenyl)perylene]-3,4-dicarboximide
SpectraBase Compound ID 36TK0DDluED
InChI InChI=1S/C36H31NO2/c1-35(2,3)21-13-18-28(36(4,5)6)29(19-21)37-33(38)26-16-14-24-22-11-7-9-20-10-8-12-23(30(20)22)25-15-17-27(34(37)39)32(26)31(24)25/h7-19H,1-6H3
InChIKey WPVHXFPEBJZDPS-UHFFFAOYSA-N
Mol Weight 509.6 g/mol
Molecular Formula C36H31NO2
Exact Mass 509.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cdy1C4UU0f
Name N-[2,5-di(T-Butylphenyl)perylene]-3,4-dicarboximide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.235479240 u
Formula C36H31NO2
InChI InChI=1S/C36H31NO2/c1-35(2,3)21-13-18-28(36(4,5)6)29(19-21)37-33(38)26-16-14-24-22-11-7-9-20-10-8-12-23(30(20)22)25-15-17-27(34(37)39)32(26)31(24)25/h7-19H,1-6H3
InChIKey WPVHXFPEBJZDPS-UHFFFAOYSA-N
Molecular Weight 509.649 g/mol
SMILES C1(N(C(C=2C=3C4=C(C=CC13)C1=CC=CC=3C1=C(C4=CC2)C=CC3)=O)C=1C(=CC=C(C1)C(C)(C)C)C(C)(C)C)=O