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N-(4-Acetylbenzyl)-N'-(1-hexylheptyl)perylen-3,4:9,10-tetracarboxylic acid-bisimide
SpectraBase Compound ID 2WDE10qbwvx
InChI InChI=1S/C46H44N2O5/c1-4-6-8-10-12-30(13-11-9-7-5-2)48-45(52)37-24-20-33-31-18-22-35-41-36(44(51)47(43(35)50)26-28-14-16-29(17-15-28)27(3)49)23-19-32(39(31)41)34-21-25-38(46(48)53)42(37)40(33)34/h14-25,30H,4-13,26H2,1-3H3
InChIKey LVBIYIMSBNRLHB-UHFFFAOYSA-N
Mol Weight 704.9 g/mol
Molecular Formula C46H44N2O5
Exact Mass 704.325023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQeqa4PokzO
Name N-(4-Acetylbenzyl)-N'-(1-hexylheptyl)perylen-3,4:9,10-tetracarboxylic acid-bisimide
Appearance Red dye
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Formula C46H44N2O5
InChI InChI=1S/C46H44N2O5/c1-4-6-8-10-12-30(13-11-9-7-5-2)48-45(52)37-24-20-33-31-18-22-35-41-36(44(51)47(43(35)50)26-28-14-16-29(17-15-28)27(3)49)23-19-32(39(31)41)34-21-25-38(46(48)53)42(37)40(33)34/h14-25,30H,4-13,26H2,1-3H3
InChIKey LVBIYIMSBNRLHB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type DEI positive ion
Molecular Weight 704.867 g/mol
Reported Formula C46H44N2O5
SMILES c12ccc3c4c2c(ccc4C(N(C3=O)C(CCCCCC)CCCCCC)=O)c2c3c1ccc1c3c(cc2)C(N(C1=O)Cc1ccc(cc1)C(C)=O)=O
SPLASH splash10-00di-0001090200-e7431062e636c55b2b43
Source of Spectrum DE102008058454A1
Thin-Layer Chromatography Rf = 0.83 (silica gel, chloroform/ethanol, 30: 1)
Wiley ID 1841700