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N,N'-DICYCLOTRIDECYL-3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIIMIDE
SpectraBase Compound ID LFprkgg42j9
InChI InChI=1S/C50H58N2O4/c53-47-39-29-25-35-37-27-31-41-46-42(50(56)52(49(41)55)34-23-19-15-11-7-3-4-8-12-16-20-24-34)32-28-38(44(37)46)36-26-30-40(45(39)43(35)36)48(54)51(47)33-21-17-13-9-5-1-2-6-10-14-18-22-33/h25-34H,1-24H2
InChIKey SDTIGNKZMXQBNW-UHFFFAOYSA-N
Mol Weight 751.0 g/mol
Molecular Formula C50H58N2O4
Exact Mass 750.439658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrikIj5QmEg
Name N,N'-dicyclotridecyl-3,4:9,10-perylenebis(dicarboxyimide)
Alternate Name(s) 2,9-Dicyclotridecylisoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
CAS Registry Number 110590-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H58N2O4
InChI InChI=1S/C50H58N2O4/c53-47-39-29-25-35-37-27-31-41-46-42(50(56)52(49(41)55)34-23-19-15-11-7-3-4-8-12-16-20-24-34)32-28-38(44(37)46)36-26-30-40(45(39)43(35)36)48(54)51(47)33-21-17-13-9-5-1-2-6-10-14-18-22-33/h25-34H,1-24H2
InChIKey SDTIGNKZMXQBNW-UHFFFAOYSA-N
Molecular Weight 751.024 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C1CCCCCCCCCCCC1)=O)=O)C1CCCCCCCCCCCC1)=O
SPLASH splash10-0006-0009020100-143354805f98fae089e8
Source of Spectrum K-121-228-2
Wiley ID 1416343