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1(2H)-Naphthalenone, 2-[[3,5-bis(1,1-dimethylethyl)phenyl]methylene]-7-[2-(1,1-dimethylethyl)-9-acridinyl]-3,4-dihydro-
SpectraBase Compound ID 88wNu0bwi0F
InChI InChI=1S/C42H45NO/c1-40(2,3)30-18-19-37-35(25-30)38(33-12-10-11-13-36(33)43-37)28-16-14-27-15-17-29(39(44)34(27)23-28)20-26-21-31(41(4,5)6)24-32(22-26)42(7,8)9/h10-14,16,18-25H,15,17H2,1-9H3/b29-20+
InChIKey HAKRBKBMTRNVKN-ZTKZIYFRSA-N
Mol Weight 579.8 g/mol
Molecular Formula C42H45NO
Exact Mass 579.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qWem0FuM7y
Name 1(2H)-Naphthalenone, 2-[[3,5-bis(1,1-dimethylethyl)phenyl]methylene]-7-[2-(1,1-dimethylethyl)-9-acridinyl]-3,4-dihydro-
CAS Registry Number 111773-18-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H45NO
InChI InChI=1S/C42H45NO/c1-40(2,3)30-18-19-37-35(25-30)38(33-12-10-11-13-36(33)43-37)28-16-14-27-15-17-29(39(44)34(27)23-28)20-26-21-31(41(4,5)6)24-32(22-26)42(7,8)9/h10-14,16,18-25H,15,17H2,1-9H3/b29-20+
InChIKey HAKRBKBMTRNVKN-ZTKZIYFRSA-N
Molecular Weight 579.828 g/mol
SMILES c12c(-c3cc4C(\C(=C\c5cc(C(C)(C)C)cc(c5)C(C)(C)C)CCc4cc3)=O)c3ccccc3nc1ccc(c2)C(C)(C)C
SPLASH splash10-00c0-0000090000-f4d6e8a892deb849de92
Source of Spectrum C-111-1379-5
Synonyms (2E)-7-(2-tert-butyl-9-acridinyl)-2-(3,5-ditert-butylbenzylidene)-3,4-dihydro-1(2H)-naphthalenone 2-(3,5-di-tert-butylbenzylidene)-7-(2-tert-butylacridin-9-yl)-1-oxo-1,2,3,4-tetrahydronaphthalene
Wiley ID 1408445