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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
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjIctynPVmJ
Name 2-[1,1'-Biphenyl]-4-yl-2-oxoethyl octanoate
Alternate Name(s) 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
CAS Registry Number 6942-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3
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 C(=O)(COC(=O)CCCCCCC)c1ccc(-c2ccccc2)cc1
SPLASH splash10-001i-3900000000-d014e734ef258c48eeb4
Wiley ID 1486089