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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
Mol Weight 1119.8 g/mol
Molecular Formula C76H114N2O4
Exact Mass 1118.87786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FerEMWybr1j
Name N'-(1-Octylnonyl)-N-(2-bis(1-pentylhexyl)-3-pentyloctyl)perylene-3,4:9,10-bis(dicarboximide)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCCCC)CCCCCCCC)=O)=O)C(C(C(CCCCC)CCCCC)CCCCCC)CC(CC(CCCC)CCCCC)CCC)=O
SPLASH splash10-0a4i-9211000000-00d2230d56ae27cec066
Source of Spectrum F-56-5440-5f
Wiley ID 857813