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1,2-diphenylethyl isobutyrate
SpectraBase Compound ID 3iPRUXfnWD7
InChI InChI=1S/C18H20O2/c1-14(2)18(19)20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChIKey XNNDXSJNSUKGFM-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHdHEqQ16fS
Name 1,2-diphenylethyl isobutyrate
Appearance Colorless oil
Carrier Gas Methane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-14(2)18(19)20-17(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChIKey XNNDXSJNSUKGFM-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Quality 229
Reported Formula C18H20O2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(C(C)C)=O
SPLASH splash10-0096-9400000000-ebab7f6273e9c3749353
Source of Spectrum QE-28-SM23-5d (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.32 (n-pentane/EtOAc, 20:1)
Wiley ID 1900698