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2-Hydroxy-N,N-diisopropyl-5-(phenylethynyl)benzamide
SpectraBase Compound ID 9OH5H8Cuqm8
InChI InChI=1S/C21H23NO2/c1-15(2)22(16(3)4)21(24)19-14-18(12-13-20(19)23)11-10-17-8-6-5-7-9-17/h5-9,12-16,23H,1-4H3
InChIKey BVPDJQUZXJRREO-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H01yIn2Yl3J
Name 2-Hydroxy-N,N-diisopropyl-5-(phenylethynyl)benzamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.172878983 u
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-15(2)22(16(3)4)21(24)19-14-18(12-13-20(19)23)11-10-17-8-6-5-7-9-17/h5-9,12-16,23H,1-4H3
InChIKey BVPDJQUZXJRREO-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000 or HP 5890-5989B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201154
Quality 96
Reported Formula C21H23NO2
SMILES OC1=C(C=C(C=C1)C#CC1=CC=CC=C1)C(=O)N(C(C)C)C(C)C
SPLASH splash10-00di-2295000000-ebef841dd8f9b28d0f92
Source of Spectrum QE-28-SM47-3p (DOI: 10.1002/chem.202201154)
Thin-Layer Chromatography 0.28 (petroleum ether/EtOAc, 8:2)
Wiley ID 1900524