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N-(1-Octylnonyl)-N'-(N"-ethoxycarbamidyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID AkTOkRZMip5
InChI InChI=1S/C44H49N3O6/c1-4-7-9-11-13-15-17-27(18-16-14-12-10-8-5-2)46-40(48)32-23-19-28-30-21-25-34-39-35(43(51)47(42(34)50)44(52)45-53-6-3)26-22-31(37(30)39)29-20-24-33(41(46)49)38(32)36(28)29/h19-27H,4-18H2,1-3H3,(H,45,52)
InChIKey ZAQAZRLTYJSUSW-UHFFFAOYSA-N
Mol Weight 715.9 g/mol
Molecular Formula C44H49N3O6
Exact Mass 715.362136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALIxI2PfmCF
Name N-(1-Octylnonyl)-N'-(N"-ethoxycarbamidyl)perylene-3,4:9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H49N3O6
InChI InChI=1S/C44H49N3O6/c1-4-7-9-11-13-15-17-27(18-16-14-12-10-8-5-2)46-40(48)32-23-19-28-30-21-25-34-39-35(43(51)47(42(34)50)44(52)45-53-6-3)26-22-31(37(30)39)29-20-24-33(41(46)49)38(32)36(28)29/h19-27H,4-18H2,1-3H3,(H,45,52)
InChIKey ZAQAZRLTYJSUSW-UHFFFAOYSA-N
Molecular Weight 715.891 g/mol
SMILES N(C(N1C(c2c3c4c(c5ccc6C(=O)N(C(c7ccc(c5c67)c4cc2)=O)C(CCCCCCCC)CCCCCCCC)ccc3C1=O)=O)=O)OCC
SPLASH splash10-004i-0003900100-0faf59e131b120fb14fc
Source of Spectrum QE-4-2115-0
Wiley ID 843766