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N,N'-DICYCLODODECYL-3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIIMIDE
SpectraBase Compound ID DZCElbP5COv
InChI InChI=1S/C48H54N2O4/c51-45-37-27-23-33-35-25-29-39-44-40(48(54)50(47(39)53)32-21-17-13-9-5-2-6-10-14-18-22-32)30-26-36(42(35)44)34-24-28-38(43(37)41(33)34)46(52)49(45)31-19-15-11-7-3-1-4-8-12-16-20-31/h23-32H,1-22H2
InChIKey NGUREBLRQZQROY-UHFFFAOYSA-N
Mol Weight 723.0 g/mol
Molecular Formula C48H54N2O4
Exact Mass 722.408358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HR26nMgUbE
Name N,N'-dicyclododecyl-3,4:9,10-perpylenebis(dicarboximide)
Alternate Name(s) 2,9-Dicyclododecylisoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
CAS Registry Number 80509-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H54N2O4
InChI InChI=1S/C48H54N2O4/c51-45-37-27-23-33-35-25-29-39-44-40(48(54)50(47(39)53)32-21-17-13-9-5-2-6-10-14-18-22-32)30-26-36(42(35)44)34-24-28-38(43(37)41(33)34)46(52)49(45)31-19-15-11-7-3-1-4-8-12-16-20-31/h23-32H,1-22H2
InChIKey NGUREBLRQZQROY-UHFFFAOYSA-N
Molecular Weight 722.970 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C1CCCCCCCCCCC1)=O)=O)C1CCCCCCCCCCC1)=O
SPLASH splash10-0006-0009010000-f6c6b31de51cf2fe0bae
Source of Spectrum K-121-228-2
Wiley ID 1415708