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N-(1-Octylnonyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide

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

N-(1-Octylnonyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide
SpectraBase Compound ID 9IcytCoj7i6
InChI InChI=1S/C48H49N3O4/c1-3-5-7-9-11-16-20-32(21-17-12-10-8-6-4-2)50-45(52)37-26-22-33-35-24-28-39-44-40(48(55)51(47(39)54)49-30-31-18-14-13-15-19-31)29-25-36(42(35)44)34-23-27-38(46(50)53)43(37)41(33)34/h13-15,18-19,22-30,32H,3-12,16-17,20-21H2,1-2H3/b49-30-
InChIKey IWLIEIIPDDPMMP-MVBFOZEESA-N
Mol Weight 731.9 g/mol
Molecular Formula C48H49N3O4
Exact Mass 731.372307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBuFuSuH6DT
Name N-(1-Octylnonyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 731.372307066 u
Formula C48H49N3O4
InChI InChI=1S/C48H49N3O4/c1-3-5-7-9-11-16-20-32(21-17-12-10-8-6-4-2)50-45(52)37-26-22-33-35-24-28-39-44-40(48(55)51(47(39)54)49-30-31-18-14-13-15-19-31)29-25-36(42(35)44)34-23-27-38(46(50)53)43(37)41(33)34/h13-15,18-19,22-30,32H,3-12,16-17,20-21H2,1-2H3/b49-30-
InChIKey IWLIEIIPDDPMMP-MVBFOZEESA-N
Molecular Weight 731.937 g/mol
SMILES C1(N(C(C=2C=3C=4C(C5=CC=C6C(N(C(C7=C6C5=C(C4C=CC13)C=C7)=O)C(CCCCCCCC)CCCCCCCC)=O)=CC2)=O)\N=C/C1=CC=CC=C1)=O