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1,2-diphenylethyl nicotinate
SpectraBase Compound ID Avu1WYO3HP5
InChI InChI=1S/C20H17NO2/c22-20(18-12-7-13-21-15-18)23-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2
InChIKey IAKKALBLALKLLZ-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C20H17NO2
Exact Mass 303.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Elcz9pDh42X
Name 1,2-diphenylethyl nicotinate
Appearance Colorless solid
Carrier Gas Methane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.125928789 u
Formula C20H17NO2
InChI InChI=1S/C20H17NO2/c22-20(18-12-7-13-21-15-18)23-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2
InChIKey IAKKALBLALKLLZ-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Quality 164
Reported Formula C20H17NO2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(C=1C=NC=CC1)=O
SPLASH splash10-0a6u-9610000000-91ee8c40b20011e30f71
Source of Spectrum QE-28-SM19-3p (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.29 (n-pentane/EtOAc, 4:1)
Wiley ID 1900691