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N(2)-[2,5-di(t-butyl)phenyl]-N(1)-(hydroxyethyl)-3,4:9,10-perylenetetracarboxydiimide
SpectraBase Compound ID 1yMKmq2Q1bK
InChI InChI=1S/C40H34N2O5/c1-39(2,3)20-7-16-29(40(4,5)6)30(19-20)42-37(46)27-14-10-23-21-8-12-25-33-26(36(45)41(17-18-43)35(25)44)13-9-22(31(21)33)24-11-15-28(38(42)47)34(27)32(23)24/h7-16,19,43H,17-18H2,1-6H3
InChIKey WSJBQHCAFNEKGA-UHFFFAOYSA-N
Mol Weight 622.7 g/mol
Molecular Formula C40H34N2O5
Exact Mass 622.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yafMxPbjzo
Name N(2)-[2,5-di(t-butyl)phenyl]-N(1)-(hydroxyethyl)-3,4:9,10-perylenetetracarboxydiimide
CAS Registry Number 118561-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34N2O5
InChI InChI=1S/C40H34N2O5/c1-39(2,3)20-7-16-29(40(4,5)6)30(19-20)42-37(46)27-14-10-23-21-8-12-25-33-26(36(45)41(17-18-43)35(25)44)13-9-22(31(21)33)24-11-15-28(38(42)47)34(27)32(23)24/h7-16,19,43H,17-18H2,1-6H3
InChIKey WSJBQHCAFNEKGA-UHFFFAOYSA-N
Molecular Weight 622.721 g/mol
SMILES OCCN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O)ccc32)=O
SPLASH splash10-00di-0000090000-3d6569777daa906b53a7
Source of Spectrum K-124-534-1
Synonyms 2-(2,5-ditert-butylphenyl)-9-(2-hydroxyethyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Wiley ID 1411696