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3-Phenanthrenecarboxylic acid, 2-ethyl-2-methyl-1,3-propanediyl ester
SpectraBase Compound ID Ff3Z5ix0lxT
InChI InChI=1S/C36H30O4/c1-3-36(2,22-39-34(37)28-18-16-26-14-12-24-8-4-6-10-30(24)32(26)20-28)23-40-35(38)29-19-17-27-15-13-25-9-5-7-11-31(25)33(27)21-29/h4-21H,3,22-23H2,1-2H3
InChIKey QQCHASPWBDGGHH-UHFFFAOYSA-N
Mol Weight 526.6 g/mol
Molecular Formula C36H30O4
Exact Mass 526.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C95yC2l1Acj
Name 3-Phenanthrenecarboxylic acid, 2-ethyl-2-methyl-1,3-propanediyl ester
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Formula C36H30O4
InChI InChI=1S/C36H30O4/c1-3-36(2,22-39-34(37)28-18-16-26-14-12-24-8-4-6-10-30(24)32(26)20-28)23-40-35(38)29-19-17-27-15-13-25-9-5-7-11-31(25)33(27)21-29/h4-21H,3,22-23H2,1-2H3
InChIKey QQCHASPWBDGGHH-UHFFFAOYSA-N
Molecular Weight 526.632 g/mol
SMILES CCC(C)(COC(=O)c1ccc2ccc3ccccc3c2c1)COC(=O)c1ccc2ccc3ccccc3c2c1
SPLASH splash10-004i-0790060000-4674075f8584a2b0785c
Source of Spectrum JX-2015-4-1066
Synonyms 2-Ethyl-2-methylpropane-1,3-diyl bis(phenanthrene-3-carboxylate) 2-Methyl-2-{[(phenanthren-3-ylcarbonyl)oxy]methyl}butyl phenanthrene-3-carboxylate 3-Phenanthrenecarboxylic acid [2-methyl-2-[[oxo(3-phenanthrenyl)methoxy]methyl]butyl] ester [2-methyl-2-(phenanthrene-3-carbonyloxymethyl)butyl] phenanthrene-3-carboxylate [2-methyl-2-(phenanthren-3-ylcarbonyloxymethyl)butyl] phenanthrene-3-carboxylate
Wiley ID 1726468