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N,N'-dicycloundecyl-3,4:9,10-perylenebis(dicarboximide)
SpectraBase Compound ID I89O9yx9870
InChI InChI=1S/C46H50N2O4/c49-43-35-25-21-31-33-23-27-37-42-38(46(52)48(45(37)51)30-19-15-11-7-3-4-8-12-16-20-30)28-24-34(40(33)42)32-22-26-36(41(35)39(31)32)44(50)47(43)29-17-13-9-5-1-2-6-10-14-18-29/h21-30H,1-20H2
InChIKey PPQPWVNAEOXDIE-UHFFFAOYSA-N
Mol Weight 694.9 g/mol
Molecular Formula C46H50N2O4
Exact Mass 694.377058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1IQbUO5IJd
Name N,N'-dicycloundecyl-3,4:9,10-perylenebis(dicarboximide)
Alternate Name(s) 2,9-Dicycloundecylisoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
CAS Registry Number 110590-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H50N2O4
InChI InChI=1S/C46H50N2O4/c49-43-35-25-21-31-33-23-27-37-42-38(46(52)48(45(37)51)30-19-15-11-7-3-4-8-12-16-20-30)28-24-34(40(33)42)32-22-26-36(41(35)39(31)32)44(50)47(43)29-17-13-9-5-1-2-6-10-14-18-29/h21-30H,1-20H2
InChIKey PPQPWVNAEOXDIE-UHFFFAOYSA-N
Molecular Weight 694.916 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C1CCCCCCCCCC1)=O)=O)C1CCCCCCCCCC1)=O
SPLASH splash10-0006-0009010000-ddb90ada3dd1957f3e81
Source of Spectrum K-121-228-2
Wiley ID 1414887