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N,N'-Bis(1-hexylheptyl)quterrylene bisimide
SpectraBase Compound ID KM8lfO70Tii
InChI InChI=1S/C70H70N2O4/c1-5-9-13-17-21-41(22-18-14-10-6-2)71-67(73)55-37-33-51-47-29-25-43-45-27-31-49-53-35-39-57-66-58(70(76)72(69(57)75)42(23-19-15-11-7-3)24-20-16-12-8-4)40-36-54(64(53)66)50-32-28-46(60(45)62(49)50)44-26-30-48(61(47)59(43)44)52-34-38-56(68(71)74)65(55)63(51)52/h25-42H,5-24H2,1-4H3
InChIKey RUPRABSQZXZBCN-UHFFFAOYSA-N
Mol Weight 1003.3 g/mol
Molecular Formula C70H70N2O4
Exact Mass 1002.533559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EH0lqkpROjg
Name Quaterrylen-3,4:13,14-tetracarboyl-3,4:13,14-bis(1-hexylheptylimide)
Appearance Blue-green solid
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Formula C70H70N2O4
InChI InChI=1S/C70H70N2O4/c1-5-9-13-17-21-41(22-18-14-10-6-2)71-67(73)55-37-33-51-47-29-25-43-45-27-31-49-53-35-39-57-66-58(70(76)72(69(57)75)42(23-19-15-11-7-3)24-20-16-12-8-4)40-36-54(64(53)66)50-32-28-46(60(45)62(49)50)44-26-30-48(61(47)59(43)44)52-34-38-56(68(71)74)65(55)63(51)52/h25-42H,5-24H2,1-4H3
InChIKey RUPRABSQZXZBCN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Molecular Weight 1003.340 g/mol
Reported Formula C70H70N2O4
SMILES c12ccc3C(=O)N(C(CCCCCC)CCCCCC)C(=O)c4c3c1c(cc4)c1c3c2ccc2c3c(cc1)c1c3c2ccc2c3c(cc1)c1c3c2ccc2c3c(cc1)C(N(C2=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0aou-9000000000-329e81bb725e0b5083aa
Source of Spectrum EP2925817A2
Thin-Layer Chromatography Rf = 0.20 (silica gel/chloroform)
Wiley ID 1850480