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9,10-Bis(2-butyloctyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide
SpectraBase Compound ID J200OfW7Ecx
InChI InChI=1S/C61H85NO6/c1-7-13-19-23-29-43(27-17-11-5)41-67-60(65)52-39-35-48-46-33-37-50-56-51(59(64)62(58(50)63)45(31-25-21-15-9-3)32-26-22-16-10-4)38-34-47(54(46)56)49-36-40-53(57(52)55(48)49)61(66)68-42-44(28-18-12-6)30-24-20-14-8-2/h33-40,43-45H,7-32,41-42H2,1-6H3
InChIKey OQRILIWCSFULNF-UHFFFAOYSA-N
Mol Weight 928.4 g/mol
Molecular Formula C61H85NO6
Exact Mass 927.637689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9sCj31R0dn
Name 9,10-Bis(2-butyloctyloxycarbonyl)-N-(1-hexylheptyl)perylene-3,4-dicarboximide
Comments Less than 3 mono-isotopic peaks
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Formula C61H85NO6
InChI InChI=1S/C61H85NO6/c1-7-13-19-23-29-43(27-17-11-5)41-67-60(65)52-39-35-48-46-33-37-50-56-51(59(64)62(58(50)63)45(31-25-21-15-9-3)32-26-22-16-10-4)38-34-47(54(46)56)49-36-40-53(57(52)55(48)49)61(66)68-42-44(28-18-12-6)30-24-20-14-8-2/h33-40,43-45H,7-32,41-42H2,1-6H3
InChIKey OQRILIWCSFULNF-UHFFFAOYSA-N
Molecular Weight 928.352 g/mol
SMILES C1(N(C(c2ccc3c4c5c(c(ccc5c5ccc1c2c35)C(OCC(CCCC)CCCCCC)=O)c(cc4)C(OCC(CCCCCC)CCCC)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-004i-0001000009-600080a58ebb9c10c25c
Source of Spectrum U1-2011-711-4c
Wiley ID 1664842