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2,3,5,6,7,8-Hexaphenyl-1,4-di(p-tolyl)fluorenone
SpectraBase Compound ID In05e1Ekd9F
InChI InChI=1S/C63H44O/c1-41-33-37-49(38-34-41)56-52(44-23-11-4-12-24-44)54(46-27-15-6-16-28-46)58(50-39-35-42(2)36-40-50)62-60(56)59-55(47-29-17-7-18-30-47)51(43-21-9-3-10-22-43)53(45-25-13-5-14-26-45)57(61(59)63(62)64)48-31-19-8-20-32-48/h3-40H,1-2H3
InChIKey JFIGGWVYVSDIFO-UHFFFAOYSA-N
Mol Weight 817.0 g/mol
Molecular Formula C63H44O
Exact Mass 816.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbaP3SHWhqH
Name 2,3,5,6,7,8-Hexaphenyl-1,4-di(p-tolyl)fluorenone
Alternate Name(s) 1,4-bis(4-methylphenyl)-2,3,5,6,7,8-hexaphenyl-9H-fluoren-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C63H44O
InChI InChI=1S/C63H44O/c1-41-33-37-49(38-34-41)56-52(44-23-11-4-12-24-44)54(46-27-15-6-16-28-46)58(50-39-35-42(2)36-40-50)62-60(56)59-55(47-29-17-7-18-30-47)51(43-21-9-3-10-22-43)53(45-25-13-5-14-26-45)57(61(59)63(62)64)48-31-19-8-20-32-48/h3-40H,1-2H3
InChIKey JFIGGWVYVSDIFO-UHFFFAOYSA-N
Molecular Weight 817.044 g/mol
SMILES c12c(-c3c(c(-c4ccccc4)c(c(c3C1=O)-c1ccccc1)-c1ccccc1)-c1ccccc1)c(-c1ccc(cc1)C)c(c(c2-c1ccc(cc1)C)-c1ccccc1)-c1ccccc1
SPLASH splash10-014i-0000000090-522adfbc6249acdd32c6
Source of Spectrum C-120-6005-14
Wiley ID 760865