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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 EG8PZVzMmxR
Name N,N'-Bis(1-hexylheptyl)quterrylene bisimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 1003.340 g/mol
SMILES C1(N(C(c2ccc3c4c2c1ccc4c1ccc2c4ccc5c6c7c8c(C(N(C(c8ccc7c7ccc(c8ccc3c1c28)c4c57)=O)C(CCCCCC)CCCCCC)=O)cc6)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0f8i-7900007000-7f85f36264088fa08937
Source of Spectrum AT-36-6424-5
Wiley ID 853272