N'-(1-Octylnonyl)-N-(2-bis(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)

SpectraBase Compound ID	BYRkjP9XaWe
InChI	InChI=1S/C76H114N2O4/c1-9-17-24-27-29-34-42-58(43-35-30-28-25-18-10-2)77-73(79)64-49-45-60-62-47-51-66-72-67(52-48-63(70(62)72)61-46-50-65(74(77)80)71(64)69(60)61)76(82)78(75(66)81)68(54-56(37-16-8)53-55(38-23-15-7)39-31-20-12-4)59(44-36-26-19-11-3)57(40-32-21-13-5)41-33-22-14-6/h45-52,55-59,68H,9-44,53-54H2,1-8H3
InChIKey	QIPFUWZKSDIZKC-UHFFFAOYSA-N Google Search
Mol Weight	1119.8 g/mol
Molecular Formula	C76H114N2O4
Exact Mass	1118.87786 g/mol

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SpectraBase Spectrum ID	7vCMKSfhaPE
Name	N'-(1-Octylnonyl)-N-(2-bis(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1118.877860155 u
Formula	C76H114N2O4
InChI	InChI=1S/C76H114N2O4/c1-9-17-24-27-29-34-42-58(43-35-30-28-25-18-10-2)77-73(79)64-49-45-60-62-47-51-66-72-67(52-48-63(70(62)72)61-46-50-65(74(77)80)71(64)69(60)61)76(82)78(75(66)81)68(54-56(37-16-8)53-55(38-23-15-7)39-31-20-12-4)59(44-36-26-19-11-3)57(40-32-21-13-5)41-33-22-14-6/h45-52,55-59,68H,9-44,53-54H2,1-8H3
InChIKey	QIPFUWZKSDIZKC-UHFFFAOYSA-N
Molecular Weight	1119.758 g/mol
SMILES	C1(N(C(C=2C=3C4=C(C=CC13)C=1C=CC3=C5C1C(C4=CC2)=CC=C5C(N(C3=O)C(CCCCCCCC)CCCCCCCC)=O)=O)C(C(C(CCCCC)CCCCC)CCCCCC)CC(CC(CCCC)CCCCC)CCC)=O