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N,N'-DICYCLOHEXYL-3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIIMIDE
SpectraBase Compound ID 3w8fYKtAYKe
InChI InChI=1S/C36H30N2O4/c39-33-25-15-11-21-23-13-17-27-32-28(36(42)38(35(27)41)20-9-5-2-6-10-20)18-14-24(30(23)32)22-12-16-26(31(25)29(21)22)34(40)37(33)19-7-3-1-4-8-19/h11-20H,1-10H2
InChIKey CHMHJESZTNVQSO-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C36H30N2O4
Exact Mass 554.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhI4xkt2XCA
Name N,N'-dicyclohexyl-3,4:9,10-perylenebis(dicarboximide)
Alternate Name(s) 2,9-Dicyclohexylisoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
CAS Registry Number 41572-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30N2O4
InChI InChI=1S/C36H30N2O4/c39-33-25-15-11-21-23-13-17-27-32-28(36(42)38(35(27)41)20-9-5-2-6-10-20)18-14-24(30(23)32)22-12-16-26(31(25)29(21)22)34(40)37(33)19-7-3-1-4-8-19/h11-20H,1-10H2
InChIKey CHMHJESZTNVQSO-UHFFFAOYSA-N
Molecular Weight 554.646 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C1CCCCC1)=O)=O)C1CCCCC1)=O
SPLASH splash10-0006-0009110000-679127fb3e21d2235e25
Source of Spectrum K-121-227-2
Wiley ID 1406251