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(S)-1-acetyl-2-(3-methoxyphenyl)-2,3-dihydroquinolin-4(1H)-one
SpectraBase Compound ID GMHyJ281Cli
InChI InChI=1S/C18H17NO3/c1-12(20)19-16-9-4-3-8-15(16)18(21)11-17(19)13-6-5-7-14(10-13)22-2/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKey IJLKKDPFLRNXRQ-KRWDZBQOSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGUWHqy9ph8
Name (S)-1-acetyl-2-(3-methoxyphenyl)-2,3-dihydroquinolin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-12(20)19-16-9-4-3-8-15(16)18(21)11-17(19)13-6-5-7-14(10-13)22-2/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKey IJLKKDPFLRNXRQ-KRWDZBQOSA-N
Instrument Name HRMS
Ionization Type EI
Molecular Weight 295.338 g/mol
Optical Rotation [a]D20 = -77.7?? (c = 0.56, CHCl3)
Reported Formula C18H17NO3
SMILES c1ccc2c(c1)C(C[C@](N2C(=O)C)(c1cccc(c1)OC)[H])=O
SPLASH splash10-0udj-3390000000-14adf96218988db51eb9
Sample Comments 99% ee
Source of Spectrum CN101723893A
Wiley ID 1841622