2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate

SpectraBase Compound ID	GjHDhD9L3vV
InChI	InChI=1S/C22H26O3/c1-2-3-4-5-9-12-22(24)25-17-21(23)20-15-13-19(14-16-20)18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3
InChIKey	VEJHBNSTZDNKOS-UHFFFAOYSA-N Google Search
Mol Weight	338.45 g/mol
Molecular Formula	C22H26O3
Exact Mass	338.188195 g/mol

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SpectraBase Spectrum ID	BgrcfYsm1eR
Name	2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate
CAS Registry Number	6942-70-7
Comments	Note: The molecular formula of the structure shown is C22H26O3 - which differs from the formula reported for the mass spectrum (C22H25DO3)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25DO3
InChI	InChI=1S/C22H26O3/c1-2-3-4-5-9-12-22(24)25-17-21(23)20-15-13-19(14-16-20)18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3
InChIKey	VEJHBNSTZDNKOS-UHFFFAOYSA-N
Molecular Weight	338.447 g/mol
SMILES	c1ccc(cc1)-c1ccc(cc1)C(=O)COC(=O)CCCCCCC
SPLASH	splash10-001i-2900000000-d978787daabac401dfda
Synonyms	Octanoic acid, 2-[1,1'-biphenyl]-4-yl-2-oxoethyl ester Octanoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester [2-oxo-2-(4-phenylphenyl)ethyl] octanoate [2-oxidanylidene-2-(4-phenylphenyl)ethyl] octanoate
Wiley ID	1486088