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(R)-3-(2,2-Dimethylcyclopropyl)-7-phenylquinolin-2(1H)-one
SpectraBase Compound ID 9WpojpnMiyt
InChI InChI=1S/C20H19NO/c1-20(2)12-17(20)16-10-15-9-8-14(11-18(15)21-19(16)22)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKey AAGMHUFJCPOKQH-KRWDZBQOSA-N
Mol Weight 289.38 g/mol
Molecular Formula C20H19NO
Exact Mass 289.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lNuCt7unRw
Name (R)-3-(2,2-Dimethylcyclopropyl)-7-phenylquinolin-2(1H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO
InChI InChI=1S/C20H19NO/c1-20(2)12-17(20)16-10-15-9-8-14(11-18(15)21-19(16)22)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKey AAGMHUFJCPOKQH-KRWDZBQOSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 289.378 g/mol
Optical Rotation [a]D20 = +26.2 (c = 2.44, CHCl3)
Reported Formula C20H19NO
SMILES N1c2cc(ccc2C=C(C1=O)[C@@]1(CC1(C)C)[H])-c1ccccc1
SPLASH splash10-007t-0090000000-e93296d49bc9c03aebe9
Sample Comments 37% ee
Source of Spectrum ACI-58-SM59-6j
Thin-Layer Chromatography Rf = 0.23 (Cy/EtOAc, 2:1)
Wiley ID 1843110