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N,N'-DICYCLOHEPTYL-3,4,9,10-PERYLENETETRACARBOXYLIC 3,4:9,10-DIIMIDE
SpectraBase Compound ID JnrQBXMmYeG
InChI InChI=1S/C38H34N2O4/c41-35-27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22-11-7-3-4-8-12-22)20-16-26(32(25)34)24-14-18-28(33(27)31(23)24)36(42)39(35)21-9-5-1-2-6-10-21/h13-22H,1-12H2
InChIKey ZVRQEHFDYBZEPR-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C38H34N2O4
Exact Mass 582.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Q9GZGrcwUx
Name N,N'-dicycloheptyl-3,4:9,10-perylenebis(dicarboximide)
CAS Registry Number 80525-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34N2O4
InChI InChI=1S/C38H34N2O4/c41-35-27-17-13-23-25-15-19-29-34-30(38(44)40(37(29)43)22-11-7-3-4-8-12-22)20-16-26(32(25)34)24-14-18-28(33(27)31(23)24)36(42)39(35)21-9-5-1-2-6-10-21/h13-22H,1-12H2
InChIKey ZVRQEHFDYBZEPR-UHFFFAOYSA-N
Molecular Weight 582.700 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C1CCCCCC1)=O)=O)C1CCCCCC1)=O
SPLASH splash10-0006-1009110000-9433fb494d6dd045a9c8
Source of Spectrum K-121-228-2
Synonyms 2,9-Dicycloheptylisoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Wiley ID 1408706