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N,N'-bis(1-hexylheptyl)-3,4,9,10-perylenetetracarboxylic 3,4:9,10-diimide
SpectraBase Compound ID C7LvyVlA23o
InChI InChI=1S/C50H62N2O4/c1-5-9-13-17-21-33(22-18-14-10-6-2)51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey NJEZHCHNQGICLU-UHFFFAOYSA-N
Mol Weight 755.1 g/mol
Molecular Formula C50H62N2O4
Exact Mass 754.470958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ox7gfV59Ra
Name N,N'-Bis(1-hexylheptyl)-3,4:9,10-perylenbis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H62N2O4
InChI InChI=1S/C50H62N2O4/c1-5-9-13-17-21-33(22-18-14-10-6-2)51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34(23-19-15-11-7-3)24-20-16-12-8-4/h25-34H,5-24H2,1-4H3
InChIKey NJEZHCHNQGICLU-UHFFFAOYSA-N
Molecular Weight 755.056 g/mol
SMILES C(N1C(c2ccc3c4c2c(ccc4c2c4c3ccc3c4c(cc2)C(N(C3=O)C(CCCCCC)CCCCCC)=O)C1=O)=O)(CCCCCC)CCCCCC
SPLASH splash10-0006-0009140100-6192d9cf784dff9fc9d0
Source of Spectrum K-121-229-2v
Synonyms 2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
Wiley ID 1796814