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N',N'-Diethyl-N-(1'-hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - 9-Amide
SpectraBase Compound ID 5UM9EA0kgjm
InChI InChI=1S/C40H46N2O3/c1-5-9-11-13-16-26(17-14-12-10-6-2)42-39(44)33-24-21-30-27-18-15-19-28-32(38(43)41(7-3)8-4)23-20-29(35(27)28)31-22-25-34(40(42)45)37(33)36(30)31/h15,18-26H,5-14,16-17H2,1-4H3
InChIKey NHJRSEDNPPXIRO-UHFFFAOYSA-N
Mol Weight 602.8 g/mol
Molecular Formula C40H46N2O3
Exact Mass 602.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wbdrJ38W7S
Name N',N'-Diethyl-N-(1'-hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - 9-Amide
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Formula C40H46N2O3
InChI InChI=1S/C40H46N2O3/c1-5-9-11-13-16-26(17-14-12-10-6-2)42-39(44)33-24-21-30-27-18-15-19-28-32(38(43)41(7-3)8-4)23-20-29(35(27)28)31-22-25-34(40(42)45)37(33)36(30)31/h15,18-26H,5-14,16-17H2,1-4H3
InChIKey NHJRSEDNPPXIRO-UHFFFAOYSA-N
Molecular Weight 602.819 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3C(N(CC)CC)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0fk9-0007819000-7a35e5f4e5bc92b0b79e
Source of Spectrum K1-2001-610-7a
Wiley ID 846668