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9-Iodoperylene-3,4-dicarboxylic-3,4-(1-hexylhept-1-ylimide)
SpectraBase Compound ID FvQARUy06De
InChI InChI=1S/C35H36INO2/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)28-18-16-25-23-14-11-15-27-30(36)21-20-24(31(23)27)26-17-19-29(35(37)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey FRXIPILPBSIRJL-UHFFFAOYSA-N
Mol Weight 629.6 g/mol
Molecular Formula C35H36INO2
Exact Mass 629.179074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77OlR6OlgDt
Name 9-Iodoperylene-3,4-dicarboxylic-3,4-(1-hexylhept-1-ylimide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36INO2
InChI InChI=1S/C35H36INO2/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)28-18-16-25-23-14-11-15-27-30(36)21-20-24(31(23)27)26-17-19-29(35(37)39)33(28)32(25)26/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey FRXIPILPBSIRJL-UHFFFAOYSA-N
Molecular Weight 629.582 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc(c3c1c(c4cc2)ccc3)I)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0002-0003904000-d436bfd95a8c5073a38f
Source of Spectrum C5-2005-366-5
Wiley ID 1618029