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N,N'-dicyclotetradecyl-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID B87WOygymRw
InChI InChI=1S/C52H62N2O4/c55-49-41-31-27-37-39-29-33-43-48-44(52(58)54(51(43)57)36-25-21-17-13-9-5-2-6-10-14-18-22-26-36)34-30-40(46(39)48)38-28-32-42(47(41)45(37)38)50(56)53(49)35-23-19-15-11-7-3-1-4-8-12-16-20-24-35/h27-36H,1-26H2
InChIKey HPTQPQJWSHEYOG-UHFFFAOYSA-N
Mol Weight 779.1 g/mol
Molecular Formula C52H62N2O4
Exact Mass 778.470958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AH86wdtHVch
Name N,N'-Dicyclotetradecyl-3,4:9,10-perylenbis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H62N2O4
InChI InChI=1S/C52H62N2O4/c55-49-41-31-27-37-39-29-33-43-48-44(52(58)54(51(43)57)36-25-21-17-13-9-5-2-6-10-14-18-22-26-36)34-30-40(46(39)48)38-28-32-42(47(41)45(37)38)50(56)53(49)35-23-19-15-11-7-3-1-4-8-12-16-20-24-35/h27-36H,1-26H2
InChIKey HPTQPQJWSHEYOG-UHFFFAOYSA-N
Molecular Weight 779.078 g/mol
SMILES C1CCCCCCC(CCCCCC1)N1C(c2ccc3c4c5c(ccc6c5c(cc4)C(N(C6=O)C4CCCCCCCCCCCCC4)=O)c4c3c2c(cc4)C1=O)=O
SPLASH splash10-0006-0009030100-d65484483dd31361c069
Source of Spectrum K-121-228-2p
Synonyms 2,9-Dicyclotetradecylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
Wiley ID 1796811