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 Google Search
Mol Weight	1003.3 g/mol
Molecular Formula	C70H70N2O4
Exact Mass	1002.533559 g/mol

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SpectraBase Spectrum ID	L1kLP3Jq3I6
Name	N,N'-bis(1-Hexylheptyl)quterrylene bisimide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1002.533558738 u
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(C2=CC=C3C=4C2=C1C=CC4C=1C=CC=2C=4C=CC=5C=6C=7C=8C(C(N(C(C8C=CC7C7=CC=C(C8=CC=C3C1C28)C4C57)=O)C(CCCCCC)CCCCCC)=O)=CC6)=O)C(CCCCCC)CCCCCC)=O