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N-(1-Hexylheptyl)-N'-(4'-tritylphenyl)perylene-3,4:9,10-bis(dicarboximide)
SpectraBase Compound ID 3v1j3RAAQCY
InChI InChI=1S/C62H54N2O4/c1-3-5-7-18-26-44(27-19-8-6-4-2)63-58(65)50-36-32-46-48-34-38-52-57-53(39-35-49(55(48)57)47-33-37-51(59(63)66)56(50)54(46)47)61(68)64(60(52)67)45-30-28-43(29-31-45)62(40-20-12-9-13-21-40,41-22-14-10-15-23-41)42-24-16-11-17-25-42/h9-17,20-25,28-39,44H,3-8,18-19,26-27H2,1-2H3
InChIKey NBFRCYQDGFTTPB-UHFFFAOYSA-N
Mol Weight 891.1 g/mol
Molecular Formula C62H54N2O4
Exact Mass 890.408358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELHmEC8EXvj
Name N-(1-Hexylheptyl)-N'-(4'-tritylphenyl)perylene-3,4:9,10-bis(dicarboximide)
Alternate Name(s) 2-(1-Hexyl-heptyl)-9-(4-trityl-phenyl)-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H54N2O4
InChI InChI=1S/C62H54N2O4/c1-3-5-7-18-26-44(27-19-8-6-4-2)63-58(65)50-36-32-46-48-34-38-52-57-53(39-35-49(55(48)57)47-33-37-51(59(63)66)56(50)54(46)47)61(68)64(60(52)67)45-30-28-43(29-31-45)62(40-20-12-9-13-21-40,41-22-14-10-15-23-41)42-24-16-11-17-25-42/h9-17,20-25,28-39,44H,3-8,18-19,26-27H2,1-2H3
InChIKey NBFRCYQDGFTTPB-UHFFFAOYSA-N
Molecular Weight 891.124 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCC)CCCCCC)=O)=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)=O
SPLASH splash10-001l-0137008490-f17d58e11f3959e76480
Source of Spectrum F-56-5439-5
Wiley ID 857817