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N-Amino-N'-(2,5-di-tert-butylphenyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID DudylQkHdmd
InChI InChI=1S/C38H31N3O4/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)40-33(42)23-12-8-19-21-10-14-25-32-26(36(45)41(39)35(25)44)15-11-22(30(21)32)20-9-13-24(34(40)43)31(23)29(19)20/h7-17H,39H2,1-6H3
InChIKey NSRMVQGNHLVSKU-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C38H31N3O4
Exact Mass 593.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFKJjI5Vu6T
Name N-Amino-N'-(2,5-di-tert-butylphenyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(2,5-ditert-butylphenyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H31N3O4
InChI InChI=1S/C38H31N3O4/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)40-33(42)23-12-8-19-21-10-14-25-32-26(36(45)41(39)35(25)44)15-11-22(30(21)32)20-9-13-24(34(40)43)31(23)29(19)20/h7-17H,39H2,1-6H3
InChIKey NSRMVQGNHLVSKU-UHFFFAOYSA-N
Molecular Weight 593.683 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O)ccc32)=O
SPLASH splash10-000i-0000090000-253f53cf8a67fa851999
Source of Spectrum QE-4-2112-6
Wiley ID 843776