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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X0s942PdTt
Name N-(1-Octylnonyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2c3c4c(c5ccc6C(N(C(c7c6c5c(c4ccc13)cc7)=O)C(CCCCCCCC)CCCCCCCC)=O)cc2)=O)\N=C/c1ccccc1)=O
SPLASH splash10-0ufu-3809103100-e95848a91b396757eb05
Source of Spectrum QE-4-2113-7
Wiley ID 843775