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N,N'-bis(1-Ethylpropyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide

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N,N'-bis(1-Ethylpropyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID 8rJ9Nax429e
InChI InChI=1S/C34H30N2O4/c1-5-17(6-2)35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18(7-3)8-4)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-18H,5-8H2,1-4H3
InChIKey AIPBSZJAQGGCPD-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C34H30N2O4
Exact Mass 530.220557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QVmbD57VQQ
Name N,N'-bis(1-Ethylpropyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
Comments Computed using HOSE algorithm
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Exact Mass 530.220557450 u
Formula C34H30N2O4
InChI InChI=1S/C34H30N2O4/c1-5-17(6-2)35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18(7-3)8-4)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-18H,5-8H2,1-4H3
InChIKey AIPBSZJAQGGCPD-UHFFFAOYSA-N
Molecular Weight 530.624 g/mol
SMILES C=12C3=C4C(=CC=C3C=3C=5C2=CC=C2C5C(C(=O)N(C2=O)C(CC)CC)=CC3)C(N(C(C4=CC1)=O)C(CC)CC)=O