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(S)-1-acetyl-2-(4-bromophenyl)-2,3-dihydroquinolin-4(1H)-one
SpectraBase Compound ID G7jQPGYFkBB
InChI InChI=1S/C17H14BrNO2/c1-11(20)19-15-5-3-2-4-14(15)17(21)10-16(19)12-6-8-13(18)9-7-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKey FQOPYRBHBLAANL-INIZCTEOSA-N
Mol Weight 344.21 g/mol
Molecular Formula C17H14BrNO2
Exact Mass 343.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74yfcwxZg
Name (S)-1-acetyl-2-(4-bromophenyl)-2,3-dihydroquinolin-4(1H)-one
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Formula C17H14BrNO2
InChI InChI=1S/C17H14BrNO2/c1-11(20)19-15-5-3-2-4-14(15)17(21)10-16(19)12-6-8-13(18)9-7-12/h2-9,16H,10H2,1H3/t16-/m0/s1
InChIKey FQOPYRBHBLAANL-INIZCTEOSA-N
Instrument Name HRMS
Ionization Type EI
Molecular Weight 344.208 g/mol
Optical Rotation [a]D20 = -199.2?? (c = 0.77, CHCl3)
Reported Formula C17H14BrNO2
SMILES c1ccc2c(c1)C(C[C@](N2C(=O)C)(c1ccc(cc1)Br)[H])=O
SPLASH splash10-0f6y-9408000000-bc6cc98d982f9db817e4
Sample Comments 99% ee
Source of Spectrum CN101723893A
Wiley ID 1841623