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N(1)-[2,5-di(t-butylphenyl])3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
SpectraBase Compound ID drgUC7QtAI
InChI InChI=1S/C38H29NO5/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)39-33(40)23-12-8-19-21-10-14-25-32-26(36(43)44-35(25)42)15-11-22(30(21)32)20-9-13-24(34(39)41)31(23)29(19)20/h7-17H,1-6H3
InChIKey QXUBVCVGMNRVIJ-UHFFFAOYSA-N
Mol Weight 579.7 g/mol
Molecular Formula C38H29NO5
Exact Mass 579.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjBNzeYekWB
Name N(1)-[2,5-di(t-butylphenyl])3,4,9,10-perylenetetracarboxy-9,10-imide-3,4-anhydride
Alternate Name(s) 9-(2,5-ditert-butylphenyl)-1H-[2]benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
CAS Registry Number 118560-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H29NO5
InChI InChI=1S/C38H29NO5/c1-37(2,3)18-7-16-27(38(4,5)6)28(17-18)39-33(40)23-12-8-19-21-10-14-25-32-26(36(43)44-35(25)42)15-11-22(30(21)32)20-9-13-24(34(39)41)31(23)29(19)20/h7-17H,1-6H3
InChIKey QXUBVCVGMNRVIJ-UHFFFAOYSA-N
Molecular Weight 579.652 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc3c5c1c(c4cc2)ccc5C(OC3=O)=O)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-00di-0000090000-b52b4965d43571585a64
Source of Spectrum K-124-531-2
Wiley ID 1408440