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(-)-(S)-4-Methoxy-3-(2'-acetoxy-3'-bromo-3'-methylbutyl)quinolin-2(1H)-one
SpectraBase Compound ID 7cEzJjCL44B
InChI InChI=1S/C17H20BrNO4/c1-10(20)23-14(17(2,3)18)9-12-15(22-4)11-7-5-6-8-13(11)19-16(12)21/h5-8,14H,9H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKey JPVPQLFMMDIANF-AWEZNQCLSA-N
Mol Weight 382.25 g/mol
Molecular Formula C17H20BrNO4
Exact Mass 381.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TsBvR1Mpw5
Name (-)-(S)-4-Methoxy-3-(2'-acetoxy-3'-bromo-3'-methylbutyl)quinolin-2(1H)-one
Alternate Name(s) (1S)-2-bromo-1-[(4-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-2-methylpropyl acetate acetic acid [(2S)-3-bromo-1-(4-methoxy-2-oxo-1H-quinolin-3-yl)-3-methylbutan-2-yl] ester [(2S)-3-bromo-1-(4-methoxy-2-oxo-1H-quinolin-3-yl)-3-methylbutan-2-yl] acetate [(1S)-2-bromo-1-[(4-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methyl-propyl] acetate [(2S)-3-bromanyl-1-(4-methoxy-2-oxidanylidene-1H-quinolin-3-yl)-3-methyl-butan-2-yl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H20BrNO4
InChI InChI=1S/C17H20BrNO4/c1-10(20)23-14(17(2,3)18)9-12-15(22-4)11-7-5-6-8-13(11)19-16(12)21/h5-8,14H,9H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKey JPVPQLFMMDIANF-AWEZNQCLSA-N
Molecular Weight 382.254 g/mol
SMILES N1c2ccccc2C(=C(C1=O)C[C@](OC(=O)C)(C(Br)(C)C)[H])OC
SPLASH splash10-004i-0090000000-b83900b2e9338fb9777c
Source of Spectrum KC-0-3402-15
Wiley ID 831788