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N-(1'-Hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - 9-Chloride
SpectraBase Compound ID 1YNA8lJckTs
InChI InChI=1S/C36H36ClNO3/c1-3-5-7-9-12-22(13-10-8-6-4-2)38-35(40)29-20-17-26-23-14-11-15-24-28(34(37)39)19-16-25(31(23)24)27-18-21-30(36(38)41)33(29)32(26)27/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey MFPYHBFBENQQSJ-UHFFFAOYSA-N
Mol Weight 566.1 g/mol
Molecular Formula C36H36ClNO3
Exact Mass 565.238372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDEKFYgJetI
Name N-(1'-Hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - 9-Chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36ClNO3
InChI InChI=1S/C36H36ClNO3/c1-3-5-7-9-12-22(13-10-8-6-4-2)38-35(40)29-20-17-26-23-14-11-15-24-28(34(37)39)19-16-25(31(23)24)27-18-21-30(36(38)41)33(29)32(26)27/h11,14-22H,3-10,12-13H2,1-2H3
InChIKey MFPYHBFBENQQSJ-UHFFFAOYSA-N
Molecular Weight 566.141 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3C(=O)Cl)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-00ls-0009030000-321545d976648bc479c9
Source of Spectrum K1-2001-609-6a
Wiley ID 846669