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3-Methyl-4-(1-pyrenyl)benzoic acid ethyl ester
SpectraBase Compound ID JaGgI1bMkUY
InChI InChI=1S/C26H20O2/c1-3-28-26(27)20-11-12-21(16(2)15-20)22-13-9-19-8-7-17-5-4-6-18-10-14-23(22)25(19)24(17)18/h4-15H,3H2,1-2H3
InChIKey SGLUIMDHRFSKAA-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C26H20O2
Exact Mass 364.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxvgHqg5pBS
Name 3-Methyl-4-(1-pyrenyl)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O2
InChI InChI=1S/C26H20O2/c1-3-28-26(27)20-11-12-21(16(2)15-20)22-13-9-19-8-7-17-5-4-6-18-10-14-23(22)25(19)24(17)18/h4-15H,3H2,1-2H3
InChIKey SGLUIMDHRFSKAA-UHFFFAOYSA-N
Molecular Weight 364.444 g/mol
SMILES c12c3c4c(cccc4cc2)ccc3ccc1-c1c(cc(C(=O)OCC)cc1)C
SPLASH splash10-03di-0009000000-5cdbf1d899e8be2c466f
Source of Spectrum K1-2001-3826-5
Synonyms 3-Methyl-4-pyren-1-yl-benzoic acid ethyl ester Ethyl 3-methyl-4-pyren-1-yl-benzoate
Wiley ID 813474