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N,N'-Bis(1-propylbutyl)-3,4:9,10-perylenbis(dicarboximide)
SpectraBase Compound ID 3tuvwgzAp4b
InChI InChI=1S/C38H38N2O4/c1-5-9-21(10-6-2)39-35(41)27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22(11-7-3)12-8-4)20-16-26(32(25)34)24-14-18-28(36(39)42)33(27)31(23)24/h13-22H,5-12H2,1-4H3
InChIKey KNHCSHBXXXGZMU-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C38H38N2O4
Exact Mass 586.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhlrtBX1C4F
Name N,N'-Bis(1-propylbutyl)-3,4:9,10-perylenbis(dicarboximide)
Alternate Name(s) 2,9-Di(heptan-4-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38N2O4
InChI InChI=1S/C38H38N2O4/c1-5-9-21(10-6-2)39-35(41)27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22(11-7-3)12-8-4)20-16-26(32(25)34)24-14-18-28(36(39)42)33(27)31(23)24/h13-22H,5-12H2,1-4H3
InChIKey KNHCSHBXXXGZMU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19881210205
Molecular Weight 586.732 g/mol
SMILES C(N1C(c2ccc3c4c2c(ccc4c2c4c3ccc3c4c(cc2)C(N(C3=O)C(CCC)CCC)=O)C1=O)=O)(CCC)CCC
SPLASH splash10-000g-3009260000-994cd918b4afbc90cef8
Source of Spectrum K-121-229-2s
Wiley ID 1796812