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N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide
SpectraBase Compound ID TxjjQWkOXf
InChI InChI=1S/C44H41N3O4/c1-3-5-7-12-16-28(17-13-8-6-4-2)46-41(48)33-22-18-29-31-20-24-35-40-36(44(51)47(43(35)50)45-26-27-14-10-9-11-15-27)25-21-32(38(31)40)30-19-23-34(42(46)49)39(33)37(29)30/h9-11,14-15,18-26,28H,3-8,12-13,16-17H2,1-2H3/b45-26-
InChIKey RWAZGVADWBRWDE-CJVPIAGSSA-N
Mol Weight 675.8 g/mol
Molecular Formula C44H41N3O4
Exact Mass 675.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YhjH9xiwzZ
Name N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(benzylimineimide)-9,10-imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H41N3O4
InChI InChI=1S/C44H41N3O4/c1-3-5-7-12-16-28(17-13-8-6-4-2)46-41(48)33-22-18-29-31-20-24-35-40-36(44(51)47(43(35)50)45-26-27-14-10-9-11-15-27)25-21-32(38(31)40)30-19-23-34(42(46)49)39(33)37(29)30/h9-11,14-15,18-26,28H,3-8,12-13,16-17H2,1-2H3/b45-26-
InChIKey RWAZGVADWBRWDE-CJVPIAGSSA-N
Molecular Weight 675.829 g/mol
SMILES C1(N(C(c2c3c4c(c5ccc6C(N(C(c7c6c5c(c4ccc13)cc7)=O)C(CCCCCC)CCCCCC)=O)cc2)=O)\N=C/c1ccccc1)=O
SPLASH splash10-0006-0209110000-4179fd19d11cfbac02a9
Source of Spectrum QE-4-2113-7
Wiley ID 843774