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(R)-3-(2,2-Dimethylcyclopropyl)quinolin-2(1H)-one
SpectraBase Compound ID ICB0i9JYFC4
InChI InChI=1S/C14H15NO/c1-14(2)8-11(14)10-7-9-5-3-4-6-12(9)15-13(10)16/h3-7,11H,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKey BQDUDSHZJOYCSI-NSHDSACASA-N
Mol Weight 213.28 g/mol
Molecular Formula C14H15NO
Exact Mass 213.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPpI3GcvXjD
Name (R)-3-(2,2-Dimethylcyclopropyl)quinolin-2(1H)-one
Appearance Colorless solid
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Formula C14H15NO
InChI InChI=1S/C14H15NO/c1-14(2)8-11(14)10-7-9-5-3-4-6-12(9)15-13(10)16/h3-7,11H,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKey BQDUDSHZJOYCSI-NSHDSACASA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 213.280 g/mol
Optical Rotation [a]D20 = +12.5 (c = 1.60, CHCl3)
Reported Formula C14H15NO
SMILES N1c2ccccc2C=C(C1=O)[C@@]1(CC1(C)C)[H]
SPLASH splash10-00dj-0910000000-33d4659005bda8e45085
Sample Comments 45% ee
Source of Spectrum ACI-58-SM56-6h
Thin-Layer Chromatography Rf = 0.20 (Cy/EtOAc, 8:2)
Wiley ID 1843109