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1(2H)-Naphthalenone, 7-[2,6-bis(1,1-dimethylethyl)-9-acridinyl]-2-[(3,5-dimethylphenyl)methylene]-3,4-dihydro-
SpectraBase Compound ID CxcT2emVZND
InChI InChI=1S/C40H41NO/c1-24-17-25(2)19-26(18-24)20-29-12-10-27-9-11-28(21-33(27)38(29)42)37-32-15-13-31(40(6,7)8)23-36(32)41-35-16-14-30(22-34(35)37)39(3,4)5/h9,11,13-23H,10,12H2,1-8H3/b29-20+
InChIKey LTIQCPHHTRJHGU-ZTKZIYFRSA-N
Mol Weight 551.8 g/mol
Molecular Formula C40H41NO
Exact Mass 551.318815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gQmEVPLVbt
Name 1(2H)-Naphthalenone, 7-[2,6-bis(1,1-dimethylethyl)-9-acridinyl]-2-[(3,5-dimethylphenyl)methylene]-3,4-dihydro-
Alternate Name(s) (2E)-7-(2,6-ditert-butyl-9-acridinyl)-2-(3,5-dimethylbenzylidene)-3,4-dihydro-1(2H)-naphthalenone 2-(3,5-Dimethylbenzylidene)-7-(2,6-di-tert-butylacridin-9-yl)-1-oxo-1,2,3,4-tetrahydronaphthalene
CAS Registry Number 118656-14-7
Comments Less than 3 mono-isotopic peaks
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Formula C40H41NO
InChI InChI=1S/C40H41NO/c1-24-17-25(2)19-26(18-24)20-29-12-10-27-9-11-28(21-33(27)38(29)42)37-32-15-13-31(40(6,7)8)23-36(32)41-35-16-14-30(22-34(35)37)39(3,4)5/h9,11,13-23H,10,12H2,1-8H3/b29-20+
InChIKey LTIQCPHHTRJHGU-ZTKZIYFRSA-N
Molecular Weight 551.774 g/mol
SMILES c12c(-c3cc4C(\C(=C\c5cc(C)cc(c5)C)CCc4cc3)=O)c3ccc(cc3nc1ccc(c2)C(C)(C)C)C(C)(C)C
SPLASH splash10-0udr-0000090000-8351a25614fb6150e4ff
Source of Spectrum C-111-1380-5
Wiley ID 1405876